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

C16H11ClN4OS2 — CID 40651727

IUPAC1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3nccs3)cc12
InChIInChI=1S/C16H11ClN4OS2/c1-9-12-8-13(14(22)19-16-18-6-7-23-16)24-15(12)21(20-9)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,18,19,22)
InChIKeyMFCUMRNSNYQOTI-UHFFFAOYSA-N
MW374.88 g/mol
LogP4.76
Rot. Bonds3

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

1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 40651727) has the molecular formula C16H11ClN4OS2 and a molecular weight of 374.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID40651727
Molecular FormulaC16H11ClN4OS2
Molecular Weight374.88 g/mol
Exact Mass374.01
IUPAC Name1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3nccs3)cc12
InChIInChI=1S/C16H11ClN4OS2/c1-9-12-8-13(14(22)19-16-18-6-7-23-16)24-15(12)21(20-9)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,18,19,22)
InChIKeyMFCUMRNSNYQOTI-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8762600
1-(4-chlorophenyl)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112793473
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
N-[5-[(4-chlorophenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1468170
N-(3-aminopropyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119408170
1-(4-chlorophenyl)-3-methyl-N-[2-(thiophen-2-ylsulfonylamino)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2382255
1-(4-chlorophenyl)-3-methyl-N-pentan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 3971166
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2410323
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 5176573
3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium
CID 2420928
N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119498714

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 40651727) is 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3nccs3)cc12.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MFCUMRNSNYQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS2/c1-9-12-8-13(14(22)19-16-18-6-7-23-16)24-15(12)21(20-9)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,18,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 374.88 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 40651727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).