N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide

C19H16N4OS — CID 53173086

IUPACN-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccccc3)cs2)c2cccnc21
InChIInChI=1S/C19H16N4OS/c1-23-11-15(14-8-5-9-20-17(14)23)19-22-16(12-25-19)18(24)21-10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyOVBMLTXHAAATLS-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.63
Rot. Bonds4

About N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide

N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53173086) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID53173086
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccccc3)cs2)c2cccnc21
InChIInChI=1S/C19H16N4OS/c1-23-11-15(14-8-5-9-20-17(14)23)19-22-16(12-25-19)18(24)21-10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyOVBMLTXHAAATLS-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiazovivin
CID 46209426
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
N-Methyl-2-{[5-phenyl-2-(pyridin-2-YL)thieno[2,3-D]pyrimidin-4-YL]amino}acetamide
CID 17404784
2-[(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 23657350
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]formamide
CID 25093442
N-({3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)acetamide
CID 25093444
({3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)urea
CID 25093445
2-[({3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)amino]acetamide
CID 25093447
N-(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)acetamide
CID 25093449

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide (CID 53173086) is N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCc3ccccc3)cs2)c2cccnc21.
What is the InChIKey of N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OVBMLTXHAAATLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23-11-15(14-8-5-9-20-17(14)23)19-22-16(12-25-19)18(24)21-10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53173086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).