N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide

C18H12Cl2N6OS — CID 16549853

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H12Cl2N6OS/c19-13-4-5-16(20)12(6-13)8-15-9-21-18(28-15)23-17(27)11-2-1-3-14(7-11)26-10-22-24-25-26/h1-7,9-10H,8H2,(H,21,23,27)
InChIKeyVCBBPZKMTZJFKR-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.27
Rot. Bonds5

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 16549853) has the molecular formula C18H12Cl2N6OS and a molecular weight of 431.31 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID16549853
Molecular FormulaC18H12Cl2N6OS
Molecular Weight431.31 g/mol
Exact Mass430.02
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H12Cl2N6OS/c19-13-4-5-16(20)12(6-13)8-15-9-21-18(28-15)23-17(27)11-2-1-3-14(7-11)26-10-22-24-25-26/h1-7,9-10H,8H2,(H,21,23,27)
InChIKeyVCBBPZKMTZJFKR-UHFFFAOYSA-N
XLogP4.27
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide 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-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 1113549
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 46485096
N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 43837031
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 2231211
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45273521
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24628808
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 7465223
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 24628797

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide (CID 16549853) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide is O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is VCBBPZKMTZJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6OS/c19-13-4-5-16(20)12(6-13)8-15-9-21-18(28-15)23-17(27)11-2-1-3-14(7-11)26-10-22-24-25-26/h1-7,9-10H,8H2,(H,21,23,27).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide?
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 431.31 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 16549853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).