1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea

C17H22N4OS — CID 4979616

IUPAC1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
SMILESCc1ccc(-c2csc(NNC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-12-7-9-13(10-8-12)15-11-23-17(19-15)21-20-16(22)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyAOUJWWPZXSCUGQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.08
Rot. Bonds4

About 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea

1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea (PubChem CID 4979616) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
PubChem CID4979616
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
SMILESCc1ccc(-c2csc(NNC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-12-7-9-13(10-8-12)15-11-23-17(19-15)21-20-16(22)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyAOUJWWPZXSCUGQ-UHFFFAOYSA-N
XLogP4.08
TPSA66.05 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 ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012
2-cyclohexyloxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 167863923
1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 22308287
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
CID 62698343
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
N-cyclohexyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836966
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
2-(cyclohexylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 856357
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2550334
N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
The IUPAC name of 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea (CID 4979616) is 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea is Cc1ccc(-c2csc(NNC(=O)NC3CCCCC3)n2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
The InChIKey is AOUJWWPZXSCUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-7-9-13(10-8-12)15-11-23-17(19-15)21-20-16(22)18-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea has a molecular weight of 330.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea is sourced from PubChem (CID 4979616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).