1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C14H24N4OS — CID 47194275

IUPAC1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCCCN2CCCCCC2)n1
InChIInChI=1S/C14H24N4OS/c1-12-11-20-14(16-12)17-13(19)15-7-6-10-18-8-4-2-3-5-9-18/h11H,2-10H2,1H3,(H2,15,16,17,19)
InChIKeyLXGUFQDFDUSVFZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.84
Rot. Bonds5

About 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47194275) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47194275
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCCCN2CCCCCC2)n1
InChIInChI=1S/C14H24N4OS/c1-12-11-20-14(16-12)17-13(19)15-7-6-10-18-8-4-2-3-5-9-18/h11H,2-10H2,1H3,(H2,15,16,17,19)
InChIKeyLXGUFQDFDUSVFZ-UHFFFAOYSA-N
XLogP2.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)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

N-carbamoyl-3-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47073418
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 648883
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-azepan-1-ylacetamide
CID 50978068
1-[(2S)-1-piperidin-1-ylpropan-2-yl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 97869797
N-(3-methoxypropyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxamide
CID 100671099
7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 119050291
2-[cyclohexylcarbamoyl(propan-2-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813398
1-[4-[3-(Dimethylamino)propyl]-1,3-thiazol-2-yl]-1-ethyl-3-propylurea
CID 10732857
1-(4-Methyl-1,3-thiazol-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47206096
4-(2,2-difluoroethyl)-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1,4-diazepane-1-carboxamide
CID 75437693
1-Hexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874513
4-(dimethylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 78874858

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47194275) is 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NCCCN2CCCCCC2)n1.
What is the InChIKey of 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is LXGUFQDFDUSVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-12-11-20-14(16-12)17-13(19)15-7-6-10-18-8-4-2-3-5-9-18/h11H,2-10H2,1H3,(H2,15,16,17,19).
What are the key properties of 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 296.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47194275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).