N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

C9H12N4OS — CID 841677

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C9H12N4OS/c1-2-13-5-3-7(12-13)8(14)11-9-10-4-6-15-9/h3,5H,2,4,6H2,1H3,(H,10,11,14)
InChIKeySOMLSQRPKZWHIF-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.74
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 841677) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID841677
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C9H12N4OS/c1-2-13-5-3-7(12-13)8(14)11-9-10-4-6-15-9/h3,5H,2,4,6H2,1H3,(H,10,11,14)
InChIKeySOMLSQRPKZWHIF-UHFFFAOYSA-N
XLogP0.74
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (CID 841677) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NC2=NCCS2)n1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is SOMLSQRPKZWHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-2-13-5-3-7(12-13)8(14)11-9-10-4-6-15-9/h3,5H,2,4,6H2,1H3,(H,10,11,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 224.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 841677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).