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

C13H14ClN3OS — CID 80625597

IUPAC5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nnc(Cl)s2)c(C)c1
InChIInChI=1S/C13H14ClN3OS/c1-8-4-5-10(9(2)6-8)7-17(3)12(18)11-15-16-13(14)19-11/h4-6H,7H2,1-3H3
InChIKeyKDUDNTJLAKXLRI-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.08
Rot. Bonds3

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

5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625597) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625597
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nnc(Cl)s2)c(C)c1
InChIInChI=1S/C13H14ClN3OS/c1-8-4-5-10(9(2)6-8)7-17(3)12(18)11-15-16-13(14)19-11/h4-6H,7H2,1-3H3
InChIKeyKDUDNTJLAKXLRI-UHFFFAOYSA-N
XLogP3.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625427
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18117131
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625900
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617794
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80625597) is 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(CN(C)C(=O)c2nnc(Cl)s2)c(C)c1.
What is the InChIKey of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KDUDNTJLAKXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8-4-5-10(9(2)6-8)7-17(3)12(18)11-15-16-13(14)19-11/h4-6H,7H2,1-3H3.
What are the key properties of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).