4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide

C10H12ClN5OS2 — CID 131916418

IUPAC4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide
SMILESCc1nnc(SCCNC(=O)c2nn(C)cc2Cl)s1
InChIInChI=1S/C10H12ClN5OS2/c1-6-13-14-10(19-6)18-4-3-12-9(17)8-7(11)5-16(2)15-8/h5H,3-4H2,1-2H3,(H,12,17)
InChIKeyHLBCBNFCUVNWKE-UHFFFAOYSA-N
MW317.83 g/mol
LogP1.76
Rot. Bonds5

About 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide (PubChem CID 131916418) has the molecular formula C10H12ClN5OS2 and a molecular weight of 317.83 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide
PubChem CID131916418
Molecular FormulaC10H12ClN5OS2
Molecular Weight317.83 g/mol
Exact Mass317.02
IUPAC Name4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide
SMILESCc1nnc(SCCNC(=O)c2nn(C)cc2Cl)s1
InChIInChI=1S/C10H12ClN5OS2/c1-6-13-14-10(19-6)18-4-3-12-9(17)8-7(11)5-16(2)15-8/h5H,3-4H2,1-2H3,(H,12,17)
InChIKeyHLBCBNFCUVNWKE-UHFFFAOYSA-N
XLogP1.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.83
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72869883
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91778266
1-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74250558
4-chloro-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1H-pyrrole-2-carboxamide
CID 77084955
2-[2-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 121494646
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263653
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 77081831
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70755049
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 131889869
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]thiadiazole-4-carboxamide
CID 46998399
(2S)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrazol-1-ylpropanamide
CID 126433936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide (CID 131916418) is 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide is Cc1nnc(SCCNC(=O)c2nn(C)cc2Cl)s1.
What is the InChIKey of 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is HLBCBNFCUVNWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS2/c1-6-13-14-10(19-6)18-4-3-12-9(17)8-7(11)5-16(2)15-8/h5H,3-4H2,1-2H3,(H,12,17).
What are the key properties of 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 317.83 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131916418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).