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

C15H16N4OS2 — CID 71930176

IUPACN-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1
InChIInChI=1S/C15H16N4OS2/c1-8-7-21-15(16-8)19(10-4-5-10)13(20)12-6-11-9(2)17-18(3)14(11)22-12/h6-7,10H,4-5H2,1-3H3
InChIKeyDBKWXZWAWNWGKA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.52
Rot. Bonds3

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

N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 71930176) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID71930176
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC NameN-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1
InChIInChI=1S/C15H16N4OS2/c1-8-7-21-15(16-8)19(10-4-5-10)13(20)12-6-11-9(2)17-18(3)14(11)22-12/h6-7,10H,4-5H2,1-3H3
InChIKeyDBKWXZWAWNWGKA-UHFFFAOYSA-N
XLogP3.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 71930176) is N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DBKWXZWAWNWGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-8-7-21-15(16-8)19(10-4-5-10)13(20)12-6-11-9(2)17-18(3)14(11)22-12/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 71930176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).