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

C9H10ClN5OS — CID 112668776

IUPAC5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H10ClN5OS/c1-5-6(4-15(2)14-5)3-11-7(16)8-12-13-9(10)17-8/h4H,3H2,1-2H3,(H,11,16)
InChIKeyQZHGBWJYWTVTNZ-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.16
Rot. Bonds3

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

5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 112668776) has the molecular formula C9H10ClN5OS and a molecular weight of 271.73 g/mol. Its IUPAC name is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID112668776
Molecular FormulaC9H10ClN5OS
Molecular Weight271.73 g/mol
Exact Mass271.03
IUPAC Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H10ClN5OS/c1-5-6(4-15(2)14-5)3-11-7(16)8-12-13-9(10)17-8/h4H,3H2,1-2H3,(H,11,16)
InChIKeyQZHGBWJYWTVTNZ-UHFFFAOYSA-N
XLogP1.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 112671955
2,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 104920731
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112669431
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112668767
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112669931
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 19475026
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 112668776) is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QZHGBWJYWTVTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5OS/c1-5-6(4-15(2)14-5)3-11-7(16)8-12-13-9(10)17-8/h4H,3H2,1-2H3,(H,11,16).
What are the key properties of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 271.73 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 112668776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).