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

C16H27N3O2S — CID 97054600

IUPAC1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@](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)/t16-/m0/s1
InChIKeyLHEZLUNUSVHOLQ-INIZCTEOSA-N
MW325.48 g/mol
LogP2.62
Rot. Bonds6

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

1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 97054600) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID97054600
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N[C@@](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)/t16-/m0/s1
InChIKeyLHEZLUNUSVHOLQ-INIZCTEOSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 97054600) is 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)N[C@@](C)(CO)C2CCCCC2)cs1.
What is the InChIKey of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is LHEZLUNUSVHOLQ-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[(2R)-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-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 97054600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).