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

C28H36N6O3S — CID 141366065

IUPAC4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
SMILESCC(=O)N(c1ncc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(=O)NC2CCN(C)CC2)C4)s1)C(C)C
InChIInChI=1S/C28H36N6O3S/c1-15(2)34(16(3)35)28-30-14-23(38-28)20-7-8-21(26(29)36)25-24(20)19-6-5-17(13-22(19)32-25)27(37)31-18-9-11-33(4)12-10-18/h7-8,14-15,17-18,32H,5-6,9-13H2,1-4H3,(H2,29,36)(H,31,37)
InChIKeyRVKONTUMYWITFP-UHFFFAOYSA-N
MW536.70 g/mol
LogP3.47
Rot. Bonds6

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

4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide (PubChem CID 141366065) has the molecular formula C28H36N6O3S and a molecular weight of 536.70 g/mol. Its IUPAC name is 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide.

Molecular Properties

Compound Name4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
PubChem CID141366065
Molecular FormulaC28H36N6O3S
Molecular Weight536.70 g/mol
Exact Mass536.26
IUPAC Name4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide
SMILESCC(=O)N(c1ncc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(=O)NC2CCN(C)CC2)C4)s1)C(C)C
InChIInChI=1S/C28H36N6O3S/c1-15(2)34(16(3)35)28-30-14-23(38-28)20-7-8-21(26(29)36)25-24(20)19-6-5-17(13-22(19)32-25)27(37)31-18-9-11-33(4)12-10-18/h7-8,14-15,17-18,32H,5-6,9-13H2,1-4H3,(H2,29,36)(H,31,37)
InChIKeyRVKONTUMYWITFP-UHFFFAOYSA-N
XLogP3.47
TPSA124.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.70
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
The IUPAC name of 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide (CID 141366065) is 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide.
What is the SMILES notation for 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
The canonical SMILES for 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide is CC(=O)N(c1ncc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(=O)NC2CCN(C)CC2)C4)s1)C(C)C.
What is the InChIKey of 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
The InChIKey is RVKONTUMYWITFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3S/c1-15(2)34(16(3)35)28-30-14-23(38-28)20-7-8-21(26(29)36)25-24(20)19-6-5-17(13-22(19)32-25)27(37)31-18-9-11-33(4)12-10-18/h7-8,14-15,17-18,32H,5-6,9-13H2,1-4H3,(H2,29,36)(H,31,37).
What are the key properties of 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide?
4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide has a molecular weight of 536.70 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[acetyl(propan-2-yl)amino]-1,3-thiazol-5-yl]-7-N-(1-methylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-1,7-dicarboxamide is sourced from PubChem (CID 141366065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).