4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole

C16H18ClNOS — CID 12798673

IUPAC4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole
SMILESCC1(C)CC(c2nc(-c3ccc(Cl)cc3)cs2)CCO1
InChIInChI=1S/C16H18ClNOS/c1-16(2)9-12(7-8-19-16)15-18-14(10-20-15)11-3-5-13(17)6-4-11/h3-6,10,12H,7-9H2,1-2H3
InChIKeyUHQKWXPGOLBWIP-UHFFFAOYSA-N
MW307.85 g/mol
LogP5.14
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole

4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole (PubChem CID 12798673) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole
PubChem CID12798673
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole
SMILESCC1(C)CC(c2nc(-c3ccc(Cl)cc3)cs2)CCO1
InChIInChI=1S/C16H18ClNOS/c1-16(2)9-12(7-8-19-16)15-18-14(10-20-15)11-3-5-13(17)6-4-11/h3-6,10,12H,7-9H2,1-2H3
InChIKeyUHQKWXPGOLBWIP-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.85
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole (CID 12798673) is 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole is CC1(C)CC(c2nc(-c3ccc(Cl)cc3)cs2)CCO1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole?
The InChIKey is UHQKWXPGOLBWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-16(2)9-12(7-8-19-16)15-18-14(10-20-15)11-3-5-13(17)6-4-11/h3-6,10,12H,7-9H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole has a molecular weight of 307.85 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2,2-dimethyloxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 12798673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).