3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea

C14H20ClN3O2S — CID 87186057

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCCO1
InChIInChI=1S/C14H20ClN3O2S/c15-11-9-16-13(21-11)17-14(19)18(12-7-4-8-20-12)10-5-2-1-3-6-10/h9-10,12H,1-8H2,(H,16,17,19)
InChIKeyITFSKVCOHHVDTK-UHFFFAOYSA-N
MW329.85 g/mol
LogP4.10
Rot. Bonds3

About 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea

3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea (PubChem CID 87186057) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea
PubChem CID87186057
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCCO1
InChIInChI=1S/C14H20ClN3O2S/c15-11-9-16-13(21-11)17-14(19)18(12-7-4-8-20-12)10-5-2-1-3-6-10/h9-10,12H,1-8H2,(H,16,17,19)
InChIKeyITFSKVCOHHVDTK-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea (CID 87186057) is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea is O=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCCO1.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea?
The InChIKey is ITFSKVCOHHVDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c15-11-9-16-13(21-11)17-14(19)18(12-7-4-8-20-12)10-5-2-1-3-6-10/h9-10,12H,1-8H2,(H,16,17,19).
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea?
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea has a molecular weight of 329.85 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea is sourced from PubChem (CID 87186057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).