1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea

C17H22N4OS — CID 46943874

IUPAC1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESNC(c1csc(NC(=O)Nc2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C17H22N4OS/c18-15(12-7-3-1-4-8-12)14-11-23-17(20-14)21-16(22)19-13-9-5-2-6-10-13/h2,5-6,9-12,15H,1,3-4,7-8,18H2,(H2,19,20,21,22)
InChIKeyHNRBFJPEICXLLK-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.37
Rot. Bonds4

About 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea

1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 46943874) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID46943874
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea
SMILESNC(c1csc(NC(=O)Nc2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C17H22N4OS/c18-15(12-7-3-1-4-8-12)14-11-23-17(20-14)21-16(22)19-13-9-5-2-6-10-13/h2,5-6,9-12,15H,1,3-4,7-8,18H2,(H2,19,20,21,22)
InChIKeyHNRBFJPEICXLLK-UHFFFAOYSA-N
XLogP4.37
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
1-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 2810741
1-(2,4-Difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
CID 2810744
N-[4-(tert-butyl)-1,3-thiazol-2-yl]-N'-phenylurea
CID 1484524
N-(4-(2-(4-((amino(imino)methyl)amino)phenyl)ethyl)-1,3-thiazol-2-yl)acetamide
CID 9817917
1-(2,6-Diisopropyl-phenyl)-3-(4-undecyl-thiazol-2-yl)-urea
CID 10527844
N-[5-benzyl-4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 21914732
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 21914735
N-[4-(2-{4-[(iminomethyl)amino]phenyl)ethyl)-1,3-thiazol-2-yl]acetamide
CID 21914878
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
(S)-N-(4-phenylthiazol-2-yl)-2-(3-phenylureido)-6-(sulfamoylamino)hexanamide
CID 44572517

Frequently Asked Questions

What is the IUPAC name of 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea (CID 46943874) is 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea is NC(c1csc(NC(=O)Nc2ccccc2)n1)C1CCCCC1.
What is the InChIKey of 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is HNRBFJPEICXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c18-15(12-7-3-1-4-8-12)14-11-23-17(20-14)21-16(22)19-13-9-5-2-6-10-13/h2,5-6,9-12,15H,1,3-4,7-8,18H2,(H2,19,20,21,22).
What are the key properties of 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 330.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 46943874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).