N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

C17H17Cl2N3O2S — CID 46113813

IUPACN-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1nc(C(=O)N2CCCCCC2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2S/c18-12-6-5-11(9-13(12)19)15(23)21-17-20-14(10-25-17)16(24)22-7-3-1-2-4-8-22/h5-6,9-10H,1-4,7-8H2,(H,20,21,23)
InChIKeyNCAYTBXUIXGZGT-UHFFFAOYSA-N
MW398.32 g/mol
LogP4.72
Rot. Bonds3

About N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (PubChem CID 46113813) has the molecular formula C17H17Cl2N3O2S and a molecular weight of 398.32 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
PubChem CID46113813
Molecular FormulaC17H17Cl2N3O2S
Molecular Weight398.32 g/mol
Exact Mass397.04
IUPAC NameN-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESO=C(Nc1nc(C(=O)N2CCCCCC2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2S/c18-12-6-5-11(9-13(12)19)15(23)21-17-20-14(10-25-17)16(24)22-7-3-1-2-4-8-22/h5-6,9-10H,1-4,7-8H2,(H,20,21,23)
InChIKeyNCAYTBXUIXGZGT-UHFFFAOYSA-N
XLogP4.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide 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

3,4-dichloro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46113807
3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46113810
2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113767
2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825
3,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915191
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46113759
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
CID 16948749
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541
N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 153387397

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (CID 46113813) is N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is O=C(Nc1nc(C(=O)N2CCCCCC2)cs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The InChIKey is NCAYTBXUIXGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S/c18-12-6-5-11(9-13(12)19)15(23)21-17-20-14(10-25-17)16(24)22-7-3-1-2-4-8-22/h5-6,9-10H,1-4,7-8H2,(H,20,21,23).
What are the key properties of N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide has a molecular weight of 398.32 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 46113813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).