1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C16H27N3O2S — CID 71855980

IUPAC1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC(C)(CO)C2CCCCC2)cs1
InChIInChI=1S/C16H27N3O2S/c1-12-18-14(10-22-12)8-9-17-15(21)19-16(2,11-20)13-6-4-3-5-7-13/h10,13,20H,3-9,11H2,1-2H3,(H2,17,19,21)
InChIKeyLHEZLUNUSVHOLQ-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.62
Rot. Bonds6

About 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71855980) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71855980
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NC(C)(CO)C2CCCCC2)cs1
InChIInChI=1S/C16H27N3O2S/c1-12-18-14(10-22-12)8-9-17-15(21)19-16(2,11-20)13-6-4-3-5-7-13/h10,13,20H,3-9,11H2,1-2H3,(H2,17,19,21)
InChIKeyLHEZLUNUSVHOLQ-UHFFFAOYSA-N
XLogP2.62
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 97054600
1-(4-Hydroxycyclohexyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 45825969
1-[2-(2-Ethyl-1,3-thiazol-4-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 60219343
1-(3-Ethyl-2-hydroxypentyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 60299611
1-(3-Ethyl-2-hydroxypentyl)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 60299682
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 65903899
4-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71893411
1-[Cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)cycloheptyl]urea
CID 75379059
1-(1-Hydroxy-4-methylpentan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 75383490
3-[2-(2-Tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 75437494
1-[(2-Hydroxycyclohexyl)methyl]-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75518117
3-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 78886593

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 71855980) is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NC(C)(CO)C2CCCCC2)cs1.
What is the InChIKey of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is LHEZLUNUSVHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12-18-14(10-22-12)8-9-17-15(21)19-16(2,11-20)13-6-4-3-5-7-13/h10,13,20H,3-9,11H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 325.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71855980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).