4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C15H15N5OS2 — CID 127254885

IUPAC4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1c2c(nn1C)CSC2
InChIInChI=1S/C15H15N5OS2/c1-9-12(23-15(16-9)20-5-3-4-6-20)14(21)17-13-10-7-22-8-11(10)18-19(13)2/h3-6H,7-8H2,1-2H3,(H,17,21)
InChIKeyJVPGIJPDMSVABV-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.97
Rot. Bonds3

About 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 127254885) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID127254885
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1c2c(nn1C)CSC2
InChIInChI=1S/C15H15N5OS2/c1-9-12(23-15(16-9)20-5-3-4-6-20)14(21)17-13-10-7-22-8-11(10)18-19(13)2/h3-6H,7-8H2,1-2H3,(H,17,21)
InChIKeyJVPGIJPDMSVABV-UHFFFAOYSA-N
XLogP2.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
5-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pyrazine-2-carboxamide
CID 134710374
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 134699883
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 110205611
2-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide
CID 127254459
N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42569304
(2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 45490970
1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
CID 53370102
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 28934755
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylthiadiazole-5-carboxamide
CID 121030391
4-methyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 121030529
6-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 134705765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 127254885) is 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)Nc1c2c(nn1C)CSC2.
What is the InChIKey of 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JVPGIJPDMSVABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-9-12(23-15(16-9)20-5-3-4-6-20)14(21)17-13-10-7-22-8-11(10)18-19(13)2/h3-6H,7-8H2,1-2H3,(H,17,21).
What are the key properties of 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 127254885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).