7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide

C52H64N12O4S2 — CID 157148011

IUPAC7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
SMILESCC(C)Nc1ncc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(=O)NC2CCN(C)CC2)C4)s1.CC(C)Nc1ncc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)NC5CCN(C)CC5)ccc4c23)s1
InChIInChI=1S/C26H34N6O2S.C26H30N6O2S/c2*1-14(2)29-26-28-13-21(35-26)18-6-7-19(24(27)33)23-22(18)17-5-4-15(12-20(17)31-23)25(34)30-16-8-10-32(3)11-9-16/h6-7,13-16,31H,4-5,8-12H2,1-3H3,(H2,27,33)(H,28,29)(H,30,34);4-7,12-14,16,31H,8-11H2,1-3H3,(H2,27,33)(H,28,29)(H,30,34)
InChIKeyAKXRMDMGKWGPGI-UHFFFAOYSA-N
MW985.30 g/mol
LogP7.71
Rot. Bonds12

About 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide

7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide (PubChem CID 157148011) has the molecular formula C52H64N12O4S2 and a molecular weight of 985.30 g/mol. Its IUPAC name is 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
PubChem CID157148011
Molecular FormulaC52H64N12O4S2
Molecular Weight985.30 g/mol
Exact Mass984.46
IUPAC Name7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
SMILESCC(C)Nc1ncc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(=O)NC2CCN(C)CC2)C4)s1.CC(C)Nc1ncc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)NC5CCN(C)CC5)ccc4c23)s1
InChIInChI=1S/C26H34N6O2S.C26H30N6O2S/c2*1-14(2)29-26-28-13-21(35-26)18-6-7-19(24(27)33)23-22(18)17-5-4-15(12-20(17)31-23)25(34)30-16-8-10-32(3)11-9-16/h6-7,13-16,31H,4-5,8-12H2,1-3H3,(H2,27,33)(H,28,29)(H,30,34);4-7,12-14,16,31H,8-11H2,1-3H3,(H2,27,33)(H,28,29)(H,30,34)
InChIKeyAKXRMDMGKWGPGI-UHFFFAOYSA-N
XLogP7.71
TPSA232.28 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500985.30
LogP ≤ 57.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide with MolForge

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Related Compounds

2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
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CID 169551888
N-[(1S)-1-(3-fluorophenyl)ethyl]-5-[2-[(1-methylpiperidine-4-carbonyl)amino]-1,3-benzothiazol-6-yl]-1H-indole-3-carboxamide
CID 169551892
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[(4-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 166997512
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-[(4-propan-2-ylphenyl)methyl]-1H-indole-3-carboxamide
CID 169551869
N-[[3-(3-carbamothioylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]indol-6-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 138608691
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(1H-indol-5-ylmethyl)-1H-indole-3-carboxamide
CID 166997562
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-(naphthalen-1-ylmethyl)-1H-indole-3-carboxamide
CID 169551855
3-[4-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-N-(1,3-thiazol-2-yl)benzamide
CID 57551516
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87980589
2-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 87980590
4-[6-(5,6-difluoro-1H-indol-3-yl)-5-[[2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbonyl]amino]hexyl]-2-(4-methylpiperazin-1-yl)-N-[6,6,6-trifluoro-1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 123689213

Frequently Asked Questions

What is the IUPAC name of 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
The IUPAC name of 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide (CID 157148011) is 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide.
What is the SMILES notation for 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
The canonical SMILES for 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide is CC(C)Nc1ncc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(=O)NC2CCN(C)CC2)C4)s1.CC(C)Nc1ncc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)NC5CCN(C)CC5)ccc4c23)s1.
What is the InChIKey of 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
The InChIKey is AKXRMDMGKWGPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2S.C26H30N6O2S/c2*1-14(2)29-26-28-13-21(35-26)18-6-7-19(24(27)33)23-22(18)17-5-4-15(12-20(17)31-23)25(34)30-16-8-10-32(3)11-9-16/h6-7,13-16,31H,4-5,8-12H2,1-3H3,(H2,27,33)(H,28,29)(H,30,34);4-7,12-14,16,31H,8-11H2,1-3H3,(H2,27,33)(H,28,29)(H,30,34).
What are the key properties of 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide has a molecular weight of 985.30 g/mol, XLogP of 7.71, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-9H-carbazole-1,7-dicarboxamide;7-N-(1-methylpiperidin-4-yl)-4-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide is sourced from PubChem (CID 157148011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).