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

C17H22N4OS — CID 22308287

IUPAC1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
SMILESCc1ccc(-c2csc(NN(C(N)=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-12-7-9-13(10-8-12)15-11-23-17(19-15)20-21(16(18)22)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H2,18,22)(H,19,20)
InChIKeyWDLYGCKXLRDSNH-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.16
Rot. Bonds4

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

1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea (PubChem CID 22308287) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
PubChem CID22308287
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
SMILESCc1ccc(-c2csc(NN(C(N)=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-12-7-9-13(10-8-12)15-11-23-17(19-15)20-21(16(18)22)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H2,18,22)(H,19,20)
InChIKeyWDLYGCKXLRDSNH-UHFFFAOYSA-N
XLogP4.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 4979616
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
2-(2,6-dimethylpiperidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197873
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 110906790
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4099174
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 31180336
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide
CID 164687675
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
The IUPAC name of 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea (CID 22308287) is 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea.
What is the SMILES notation for 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
The canonical SMILES for 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea is Cc1ccc(-c2csc(NN(C(N)=O)C3CCCCC3)n2)cc1.
What is the InChIKey of 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
The InChIKey is WDLYGCKXLRDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-7-9-13(10-8-12)15-11-23-17(19-15)20-21(16(18)22)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea?
1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea has a molecular weight of 330.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea is sourced from PubChem (CID 22308287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).