N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C23H19N5O2S — CID 118607261

IUPACN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)c1cscn1
InChIInChI=1S/C23H19N5O2S/c29-18-8-4-7-16-20(18)22(26-15-5-2-1-3-6-15)21(27-16)14-9-10-24-19(11-14)28-23(30)17-12-31-13-25-17/h1-3,5-6,9-13,26-27H,4,7-8H2,(H,24,28,30)
InChIKeyJTAVCSPCKRRXNO-UHFFFAOYSA-N
MW429.51 g/mol
LogP5.05
Rot. Bonds5

About N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 118607261) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID118607261
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)c1cscn1
InChIInChI=1S/C23H19N5O2S/c29-18-8-4-7-16-20(18)22(26-15-5-2-1-3-6-15)21(27-16)14-9-10-24-19(11-14)28-23(30)17-12-31-13-25-17/h1-3,5-6,9-13,26-27H,4,7-8H2,(H,24,28,30)
InChIKeyJTAVCSPCKRRXNO-UHFFFAOYSA-N
XLogP5.05
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.51
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

indole-based 6-membered lactam, (R)-4b
CID 15604766
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951676
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
Indole-based 6-membered lactam, 3b
CID 44143545
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-thiazol-2-yl-1H-indole-7-carboxamide
CID 507919
N-(1,3-benzothiazol-2-yl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamide
CID 507921
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280237
1-(4-benzoylpiperazin-1-yl)-2-(7-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280245
3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-N-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridine-7-carboxamide
CID 5280251
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-(7-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 59693969
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
CID 2174681

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 118607261) is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)c1cscn1.
What is the InChIKey of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JTAVCSPCKRRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c29-18-8-4-7-16-20(18)22(26-15-5-2-1-3-6-15)21(27-16)14-9-10-24-19(11-14)28-23(30)17-12-31-13-25-17/h1-3,5-6,9-13,26-27H,4,7-8H2,(H,24,28,30).
What are the key properties of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118607261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).