1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea

C16H19N3OS — CID 711088

IUPAC1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)cs1)NC1CCCCC1
InChIInChI=1S/C16H19N3OS/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,17,18,19,20)
InChIKeyWNVNFGAEDRKGMG-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.26
Rot. Bonds3

About 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 711088) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID711088
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccc2)cs1)NC1CCCCC1
InChIInChI=1S/C16H19N3OS/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,17,18,19,20)
InChIKeyWNVNFGAEDRKGMG-UHFFFAOYSA-N
XLogP4.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
H3B-120
CID 132355378
TJ-M2010-5
CID 71542350
2-Cinnamamido-4-phenylthiazole
CID 690181
Thiourea, N-(4-methyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001105
Thiourea, N-(4-ethyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001106
Thiourea, N-(2-phenylethyl)-N'-(4-propyl-2-thiazolyl)-
CID 3001107
Thiourea, N-(4-(1-methylethyl)-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001108

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 711088) is 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1nc(-c2ccccc2)cs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is WNVNFGAEDRKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,17,18,19,20).
What are the key properties of 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 301.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 711088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).