3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea

C14H21ClN4O2S — CID 11382362

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H21ClN4O2S/c15-12-10-16-13(22-12)17-14(20)19(11-4-2-1-3-5-11)18-6-8-21-9-7-18/h10-11H,1-9H2,(H,16,17,20)
InChIKeyPUMKZPMZCJDMCF-UHFFFAOYSA-N
MW344.87 g/mol
LogP3.21
Rot. Bonds3

About 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea

3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea (PubChem CID 11382362) has the molecular formula C14H21ClN4O2S and a molecular weight of 344.87 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea
PubChem CID11382362
Molecular FormulaC14H21ClN4O2S
Molecular Weight344.87 g/mol
Exact Mass344.11
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H21ClN4O2S/c15-12-10-16-13(22-12)17-14(20)19(11-4-2-1-3-5-11)18-6-8-21-9-7-18/h10-11H,1-9H2,(H,16,17,20)
InChIKeyPUMKZPMZCJDMCF-UHFFFAOYSA-N
XLogP3.21
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea (CID 11382362) is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea is O=C(Nc1ncc(Cl)s1)N(C1CCCCC1)N1CCOCC1.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea?
The InChIKey is PUMKZPMZCJDMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2S/c15-12-10-16-13(22-12)17-14(20)19(11-4-2-1-3-5-11)18-6-8-21-9-7-18/h10-11H,1-9H2,(H,16,17,20).
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea?
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea has a molecular weight of 344.87 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea is sourced from PubChem (CID 11382362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).