4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole

C12H18ClNS — CID 156559259

IUPAC4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Cl)c(C2CCCCC2)s1
InChIInChI=1S/C12H18ClNS/c1-8(2)12-14-11(13)10(15-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyLFJBLVYUEMAWLW-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.97
Rot. Bonds2

About 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole

4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole (PubChem CID 156559259) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole
PubChem CID156559259
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(Cl)c(C2CCCCC2)s1
InChIInChI=1S/C12H18ClNS/c1-8(2)12-14-11(13)10(15-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyLFJBLVYUEMAWLW-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole (CID 156559259) is 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(Cl)c(C2CCCCC2)s1.
What is the InChIKey of 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole?
The InChIKey is LFJBLVYUEMAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-8(2)12-14-11(13)10(15-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole?
4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole has a molecular weight of 243.80 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclohexyl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 156559259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).