1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C15H26N4OS — CID 143176373

IUPAC1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCC(C)N2CCCCCC2)s1
InChIInChI=1S/C15H26N4OS/c1-12(19-9-5-3-4-6-10-19)7-8-16-14(20)18-15-17-11-13(2)21-15/h11-12H,3-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyAWNQNWPRFJZZSM-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.23
Rot. Bonds5

About 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 143176373) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID143176373
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCCC(C)N2CCCCCC2)s1
InChIInChI=1S/C15H26N4OS/c1-12(19-9-5-3-4-6-10-19)7-8-16-14(20)18-15-17-11-13(2)21-15/h11-12H,3-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyAWNQNWPRFJZZSM-UHFFFAOYSA-N
XLogP3.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
CID 47197239
1-(1-Cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 71978932
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
N-(5-methyl-1,3-thiazol-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71986290
1-Cyclohexyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea
CID 128045859
1-(Azepan-1-yl)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-1-one
CID 133523031
1-Methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea
CID 167953396
1-[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-pentylurea
CID 168278471
1,1-Dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 11255707
1-(1-Methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 11586909

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 143176373) is 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NCCC(C)N2CCCCCC2)s1.
What is the InChIKey of 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is AWNQNWPRFJZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12(19-9-5-3-4-6-10-19)7-8-16-14(20)18-15-17-11-13(2)21-15/h11-12H,3-10H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[3-(azepan-1-yl)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 310.47 g/mol, XLogP of 3.23, 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)butyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 143176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).