4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide

C20H26N4OS — CID 53172983

IUPAC4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NCCC(C)C
InChIInChI=1S/C20H26N4OS/c1-12(2)8-10-22-19(25)17-14(5)23-20(26-17)16-11-24(13(3)4)18-15(16)7-6-9-21-18/h6-7,9,11-13H,8,10H2,1-5H3,(H,22,25)
InChIKeyKLQWTDSPCRRJCY-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.83
Rot. Bonds6

About 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 53172983) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID53172983
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NCCC(C)C
InChIInChI=1S/C20H26N4OS/c1-12(2)8-10-22-19(25)17-14(5)23-20(26-17)16-11-24(13(3)4)18-15(16)7-6-9-21-18/h6-7,9,11-13H,8,10H2,1-5H3,(H,22,25)
InChIKeyKLQWTDSPCRRJCY-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-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

4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 53172982
N-(4-methoxyphenyl)-4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172996
(4-methylpiperidin-1-yl)-[4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanone
CID 53173008
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389335
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53172975
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100716
N-(3-methoxyphenyl)-4-methyl-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172890
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
3,4-dihydro-1H-isoquinolin-2-yl-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 53172951
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 53172983) is 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NCCC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KLQWTDSPCRRJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-12(2)8-10-22-19(25)17-14(5)23-20(26-17)16-11-24(13(3)4)18-15(16)7-6-9-21-18/h6-7,9,11-13H,8,10H2,1-5H3,(H,22,25).
What are the key properties of 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53172983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).