1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea

C16H17Cl2N3OS — CID 121080414

IUPAC1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)NC1CCCCC1
InChIInChI=1S/C16H17Cl2N3OS/c17-10-6-7-13(18)12(8-10)14-9-23-16(20-14)21-15(22)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,19,20,21,22)
InChIKeyUPRPCYINAWUCTJ-UHFFFAOYSA-N
MW370.31 g/mol
LogP5.57
Rot. Bonds3

About 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea

1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea (PubChem CID 121080414) has the molecular formula C16H17Cl2N3OS and a molecular weight of 370.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea
PubChem CID121080414
Molecular FormulaC16H17Cl2N3OS
Molecular Weight370.31 g/mol
Exact Mass369.05
IUPAC Name1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)NC1CCCCC1
InChIInChI=1S/C16H17Cl2N3OS/c17-10-6-7-13(18)12(8-10)14-9-23-16(20-14)21-15(22)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,19,20,21,22)
InChIKeyUPRPCYINAWUCTJ-UHFFFAOYSA-N
XLogP5.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.31
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 112793771
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
CID 121080421
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2,5-dichloro-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 3549072
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2359661
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55331245
[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174065

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea (CID 121080414) is 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea is O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is UPRPCYINAWUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3OS/c17-10-6-7-13(18)12(8-10)14-9-23-16(20-14)21-15(22)19-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,19,20,21,22).
What are the key properties of 1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea?
1-cyclohexyl-3-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 370.31 g/mol, XLogP of 5.57, 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-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 121080414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).