N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide

C22H14ClN5OS — CID 1017691

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C22H14ClN5OS/c23-18-10-9-16(28-12-24-25-13-28)11-17(18)21(29)26-15-7-5-14(6-8-15)22-27-19-3-1-2-4-20(19)30-22/h1-13H,(H,26,29)
InChIKeyWXZZVCCEVUXFLB-UHFFFAOYSA-N
MW431.91 g/mol
LogP5.45
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1017691) has the molecular formula C22H14ClN5OS and a molecular weight of 431.91 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID1017691
Molecular FormulaC22H14ClN5OS
Molecular Weight431.91 g/mol
Exact Mass431.06
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-n2cnnc2)ccc1Cl
InChIInChI=1S/C22H14ClN5OS/c23-18-10-9-16(28-12-24-25-13-28)11-17(18)21(29)26-15-7-5-14(6-8-15)22-27-19-3-1-2-4-20(19)30-22/h1-13H,(H,26,29)
InChIKeyWXZZVCCEVUXFLB-UHFFFAOYSA-N
XLogP5.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.91
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-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-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-iodobenzamide
CID 2277461
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 1017703
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
CID 26173797
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide
CID 2268428
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-5-bromo-2-chlorobenzamide
CID 112772424
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chlorophenyl)urea
CID 46381124
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 2738352
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-iodobenzamide
CID 2266955
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
CID 2283555

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (CID 1017691) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-n2cnnc2)ccc1Cl.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WXZZVCCEVUXFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5OS/c23-18-10-9-16(28-12-24-25-13-28)11-17(18)21(29)26-15-7-5-14(6-8-15)22-27-19-3-1-2-4-20(19)30-22/h1-13H,(H,26,29).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 431.91 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1017691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).