1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea

C17H19ClN4O2S — CID 16948749

IUPAC1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCCCCC2)cs1
InChIInChI=1S/C17H19ClN4O2S/c18-12-6-5-7-13(10-12)19-16(24)21-17-20-14(11-25-17)15(23)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9H2,(H2,19,20,21,24)
InChIKeyCJLNZRRLLWZTMI-UHFFFAOYSA-N
MW378.89 g/mol
LogP4.46
Rot. Bonds3

About 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea

1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea (PubChem CID 16948749) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
PubChem CID16948749
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCCCCC2)cs1
InChIInChI=1S/C17H19ClN4O2S/c18-12-6-5-7-13(10-12)19-16(24)21-17-20-14(11-25-17)15(23)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9H2,(H2,19,20,21,24)
InChIKeyCJLNZRRLLWZTMI-UHFFFAOYSA-N
XLogP4.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea 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

1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16948435
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
N-(3-chloro-2-methylphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948852
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
methyl 1-[2-(phenylcarbamoylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 16948133
2-[(3-chlorophenyl)carbamoylamino]-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16948876
1-(3-chlorophenyl)-3-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 18567612
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41211525
1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
CID 19449713

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea (CID 16948749) is 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCCCCC2)cs1.
What is the InChIKey of 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea?
The InChIKey is CJLNZRRLLWZTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c18-12-6-5-7-13(10-12)19-16(24)21-17-20-14(11-25-17)15(23)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9H2,(H2,19,20,21,24).
What are the key properties of 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea?
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea has a molecular weight of 378.89 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 16948749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).