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

C18H22N4OS — CID 53172982

IUPAC4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-c2cn(C(C)C)c3ncccc23)nc1C
InChIInChI=1S/C18H22N4OS/c1-5-8-20-17(23)15-12(4)21-18(24-15)14-10-22(11(2)3)16-13(14)7-6-9-19-16/h6-7,9-11H,5,8H2,1-4H3,(H,20,23)
InChIKeyLCPCEBRBZMDSNP-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.19
Rot. Bonds5

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

4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 53172982) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID53172982
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(-c2cn(C(C)C)c3ncccc23)nc1C
InChIInChI=1S/C18H22N4OS/c1-5-8-20-17(23)15-12(4)21-18(24-15)14-10-22(11(2)3)16-13(14)7-6-9-19-16/h6-7,9-11H,5,8H2,1-4H3,(H,20,23)
InChIKeyLCPCEBRBZMDSNP-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide (CID 53172982) is 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(-c2cn(C(C)C)c3ncccc23)nc1C.
What is the InChIKey of 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is LCPCEBRBZMDSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-5-8-20-17(23)15-12(4)21-18(24-15)14-10-22(11(2)3)16-13(14)7-6-9-19-16/h6-7,9-11H,5,8H2,1-4H3,(H,20,23).
What are the key properties of 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53172982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).