5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide

C10H12ClN5OS — CID 80619552

IUPAC5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H12ClN5OS/c1-6-7(5-13-14-6)3-2-4-12-8(17)9-15-16-10(11)18-9/h5H,2-4H2,1H3,(H,12,17)(H,13,14)
InChIKeyJOQNMLRQSVTCKI-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.59
Rot. Bonds5

About 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619552) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619552
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC Name5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H12ClN5OS/c1-6-7(5-13-14-6)3-2-4-12-8(17)9-15-16-10(11)18-9/h5H,2-4H2,1H3,(H,12,17)(H,13,14)
InChIKeyJOQNMLRQSVTCKI-UHFFFAOYSA-N
XLogP1.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
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3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
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6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
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2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
5-chloro-N-(3-hydroxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625182
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 114922479
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846
N-(4-amino-4-oxobutyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80624913
5-chloro-N-[2-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618039

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide (CID 80619552) is 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide is Cc1[nH]ncc1CCCNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JOQNMLRQSVTCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c1-6-7(5-13-14-6)3-2-4-12-8(17)9-15-16-10(11)18-9/h5H,2-4H2,1H3,(H,12,17)(H,13,14).
What are the key properties of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 285.76 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).