N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C9H12N6OS — CID 114252342

IUPACN-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCn1ccc(NC(=O)c2nnc(NC)s2)n1
InChIInChI=1S/C9H12N6OS/c1-3-15-5-4-6(14-15)11-7(16)8-12-13-9(10-2)17-8/h4-5H,3H2,1-2H3,(H,10,13)(H,11,14,16)
InChIKeyWLVVMKUECDVUNR-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.05
Rot. Bonds4

About N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114252342) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID114252342
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC NameN-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCn1ccc(NC(=O)c2nnc(NC)s2)n1
InChIInChI=1S/C9H12N6OS/c1-3-15-5-4-6(14-15)11-7(16)8-12-13-9(10-2)17-8/h4-5H,3H2,1-2H3,(H,10,13)(H,11,14,16)
InChIKeyWLVVMKUECDVUNR-UHFFFAOYSA-N
XLogP1.05
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
5-(methylamino)-N-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618119
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897
N-(3,4-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618888
N-(5-bromo-4-methyl-2-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624614
N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616293

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 114252342) is N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CCn1ccc(NC(=O)c2nnc(NC)s2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WLVVMKUECDVUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-3-15-5-4-6(14-15)11-7(16)8-12-13-9(10-2)17-8/h4-5H,3H2,1-2H3,(H,10,13)(H,11,14,16).
What are the key properties of N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114252342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).