1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C17H16N4OS2 — CID 17440886

IUPAC1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC3=NCCS3)cc12
InChIInChI=1S/C17H16N4OS2/c1-11-13-9-14(15(22)19-17-18-7-8-23-17)24-16(13)21(20-11)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,19,22)
InChIKeyPQTDYKUFQINEOL-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.29
Rot. Bonds3

About 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 17440886) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID17440886
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)NC3=NCCS3)cc12
InChIInChI=1S/C17H16N4OS2/c1-11-13-9-14(15(22)19-17-18-7-8-23-17)24-16(13)21(20-11)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,19,22)
InChIKeyPQTDYKUFQINEOL-UHFFFAOYSA-N
XLogP3.29
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8797532
1-benzyl-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 24560325
1-benzyl-N-[2-(dimethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 18778103
1-benzyl-N-(2-methoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2430094
1-benzyl-3-methyl-N-(2-pyrrolidin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112770174
N-(2-benzamidoethyl)-1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24659947
1-benzyl-N-[2-(diethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 17442326
1-benzyl-N-cyclopentyl-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112818382
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
1-benzyl-N-[4-(2-methoxyethoxy)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112821607
2-[(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521214
1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9098488

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 17440886) is 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2)c2sc(C(=O)NC3=NCCS3)cc12.
What is the InChIKey of 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PQTDYKUFQINEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-11-13-9-14(15(22)19-17-18-7-8-23-17)24-16(13)21(20-11)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,19,22).
What are the key properties of 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 356.48 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 17440886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).