N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide

C11H9Cl2N3OS — CID 70605698

IUPACN-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3OS/c1-6-10(18-16-15-6)11(17)14-5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H,14,17)
InChIKeyQJRTVYXTEJLCHH-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.08
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 70605698) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID70605698
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3OS/c1-6-10(18-16-15-6)11(17)14-5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H,14,17)
InChIKeyQJRTVYXTEJLCHH-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-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-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 7576962
3-[4-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76905993
N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 51585981
4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide
CID 19782055
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 69085656
4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
CID 65199256
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide (CID 70605698) is N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is QJRTVYXTEJLCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6-10(18-16-15-6)11(17)14-5-7-2-3-8(12)9(13)4-7/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 70605698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).