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

C13H14ClN3OS — CID 80626107

IUPAC5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C13H14ClN3OS/c1-7-4-5-8(2)10(6-7)9(3)15-11(18)12-16-17-13(14)19-12/h4-6,9H,1-3H3,(H,15,18)
InChIKeyUZYDZWWCYLPFOP-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.30
Rot. Bonds3

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

5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80626107) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80626107
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C13H14ClN3OS/c1-7-4-5-8(2)10(6-7)9(3)15-11(18)12-16-17-13(14)19-12/h4-6,9H,1-3H3,(H,15,18)
InChIKeyUZYDZWWCYLPFOP-UHFFFAOYSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987054
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618478
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625249
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
CID 81227397
N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17327235
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625192
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 47219608
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80626107) is 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2nnc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UZYDZWWCYLPFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7-4-5-8(2)10(6-7)9(3)15-11(18)12-16-17-13(14)19-12/h4-6,9H,1-3H3,(H,15,18).
What are the key properties of 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80626107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).