1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea

C17H26N6OS — CID 87938052

IUPAC1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea
SMILESCC(C)CNCc1csc(NC(=O)NCc2nccn2C2CCC2)n1
InChIInChI=1S/C17H26N6OS/c1-12(2)8-18-9-13-11-25-17(21-13)22-16(24)20-10-15-19-6-7-23(15)14-4-3-5-14/h6-7,11-12,14,18H,3-5,8-10H2,1-2H3,(H2,20,21,22,24)
InChIKeyWUJZLNVWBZVTHQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.13
Rot. Bonds8

About 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea

1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea (PubChem CID 87938052) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea
PubChem CID87938052
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea
SMILESCC(C)CNCc1csc(NC(=O)NCc2nccn2C2CCC2)n1
InChIInChI=1S/C17H26N6OS/c1-12(2)8-18-9-13-11-25-17(21-13)22-16(24)20-10-15-19-6-7-23(15)14-4-3-5-14/h6-7,11-12,14,18H,3-5,8-10H2,1-2H3,(H2,20,21,22,24)
InChIKeyWUJZLNVWBZVTHQ-UHFFFAOYSA-N
XLogP3.13
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea (CID 87938052) is 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea is CC(C)CNCc1csc(NC(=O)NCc2nccn2C2CCC2)n1.
What is the InChIKey of 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea?
The InChIKey is WUJZLNVWBZVTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-12(2)8-18-9-13-11-25-17(21-13)22-16(24)20-10-15-19-6-7-23(15)14-4-3-5-14/h6-7,11-12,14,18H,3-5,8-10H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea?
1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea has a molecular weight of 362.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclobutylimidazol-2-yl)methyl]-3-[4-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 87938052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).