3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide

C19H19N5OS2 — CID 8849767

IUPAC3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(CC(C)C)c2sc(C(=O)Nc3nc(-c4ccccn4)cs3)cc12
InChIInChI=1S/C19H19N5OS2/c1-11(2)9-24-18-13(12(3)23-24)8-16(27-18)17(25)22-19-21-15(10-26-19)14-6-4-5-7-20-14/h4-8,10-11H,9H2,1-3H3,(H,21,22,25)
InChIKeyARSODLJEIXBXKF-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.83
Rot. Bonds5

About 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 8849767) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID8849767
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC Name3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(CC(C)C)c2sc(C(=O)Nc3nc(-c4ccccn4)cs3)cc12
InChIInChI=1S/C19H19N5OS2/c1-11(2)9-24-18-13(12(3)23-24)8-16(27-18)17(25)22-19-21-15(10-26-19)14-6-4-5-7-20-14/h4-8,10-11H,9H2,1-3H3,(H,21,22,25)
InChIKeyARSODLJEIXBXKF-UHFFFAOYSA-N
XLogP4.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46230614
3-(2-fluorophenyl)-1-methyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231793
1-ethyl-3-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231856
US9550778, chem-us-00216
CID 121263181
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid thiazol-2-ylamide
CID 644553
3-amino-4,6-dimethyl-N-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
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3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287682
1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide
CID 2082451
1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 2099780
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 8849767) is 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc(-c4ccccn4)cs3)cc12.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ARSODLJEIXBXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c1-11(2)9-24-18-13(12(3)23-24)8-16(27-18)17(25)22-19-21-15(10-26-19)14-6-4-5-7-20-14/h4-8,10-11H,9H2,1-3H3,(H,21,22,25).
What are the key properties of 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 8849767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).