5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide

C12H10N6OS2 — CID 166316233

IUPAC5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nccs1)c1nnc(C2CC2)s1
InChIInChI=1S/C12H10N6OS2/c19-9(12-18-17-10(21-12)6-1-2-6)15-7-5-14-16-8(7)11-13-3-4-20-11/h3-6H,1-2H2,(H,14,16)(H,15,19)
InChIKeySQPFIUCDEPZROC-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.51
Rot. Bonds4

About 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide

5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 166316233) has the molecular formula C12H10N6OS2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID166316233
Molecular FormulaC12H10N6OS2
Molecular Weight318.39 g/mol
Exact Mass318.04
IUPAC Name5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nccs1)c1nnc(C2CC2)s1
InChIInChI=1S/C12H10N6OS2/c19-9(12-18-17-10(21-12)6-1-2-6)15-7-5-14-16-8(7)11-13-3-4-20-11/h3-6H,1-2H2,(H,14,16)(H,15,19)
InChIKeySQPFIUCDEPZROC-UHFFFAOYSA-N
XLogP2.51
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclopropylmethyl)-2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]thieno[3,2-b]pyrrole-5-carboxamide
CID 154876337
3-(2-amino-2-oxoethyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 154863910
6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide
CID 154876348
1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 155951281
6-tert-butyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 154867895
1-(3,3-dimethyl-2-oxobutyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]triazole-4-carboxamide
CID 154863950
4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 154863935
N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide
CID 154863906
4-fluoro-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-3-carboxamide
CID 154863965
2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide
CID 166234133
2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide
CID 122159548
6-methoxy-1-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]indole-2-carboxamide
CID 154876323

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide (CID 166316233) is 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1cn[nH]c1-c1nccs1)c1nnc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SQPFIUCDEPZROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS2/c19-9(12-18-17-10(21-12)6-1-2-6)15-7-5-14-16-8(7)11-13-3-4-20-11/h3-6H,1-2H2,(H,14,16)(H,15,19).
What are the key properties of 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide?
5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 166316233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).