3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide

C15H12ClN5OS — CID 168866614

IUPAC3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1ccccc1Cc1nnc(NC(=O)c2nccnc2Cl)s1
InChIInChI=1S/C15H12ClN5OS/c1-9-4-2-3-5-10(9)8-11-20-21-15(23-11)19-14(22)12-13(16)18-7-6-17-12/h2-7H,8H2,1H3,(H,19,21,22)
InChIKeyIUSZEJDNRKNPHG-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide

3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 168866614) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
PubChem CID168866614
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC Name3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1ccccc1Cc1nnc(NC(=O)c2nccnc2Cl)s1
InChIInChI=1S/C15H12ClN5OS/c1-9-4-2-3-5-10(9)8-11-20-21-15(23-11)19-14(22)12-13(16)18-7-6-17-12/h2-7H,8H2,1H3,(H,19,21,22)
InChIKeyIUSZEJDNRKNPHG-UHFFFAOYSA-N
XLogP3.13
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 168866607
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501
2-(2-chlorophenyl)-N-[5-[4-[5-[3-(2-methylphenyl)-2-oxopropyl]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 159819478
2,6-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17320202
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
4-ethoxy-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 86938318
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide (CID 168866614) is 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide is Cc1ccccc1Cc1nnc(NC(=O)c2nccnc2Cl)s1.
What is the InChIKey of 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is IUSZEJDNRKNPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c1-9-4-2-3-5-10(9)8-11-20-21-15(23-11)19-14(22)12-13(16)18-7-6-17-12/h2-7H,8H2,1H3,(H,19,21,22).
What are the key properties of 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide?
3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 345.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 168866614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).