2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol

C15H18ClNOS — CID 82433890

IUPAC2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1nc(-c2ccccc2Cl)sc1C(C)(C)O
InChIInChI=1S/C15H18ClNOS/c1-9(2)12-13(15(3,4)18)19-14(17-12)10-7-5-6-8-11(10)16/h5-9,18H,1-4H3
InChIKeyNTTVNVQMJDKNID-UHFFFAOYSA-N
MW295.83 g/mol
LogP4.81
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol

2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82433890) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82433890
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1nc(-c2ccccc2Cl)sc1C(C)(C)O
InChIInChI=1S/C15H18ClNOS/c1-9(2)12-13(15(3,4)18)19-14(17-12)10-7-5-6-8-11(10)16/h5-9,18H,1-4H3
InChIKeyNTTVNVQMJDKNID-UHFFFAOYSA-N
XLogP4.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82435103
2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazole-5-carboximidamide
CID 82433886
(E)-3-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82433893
2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-amine
CID 96589922
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089512
[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433632
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (CID 82433890) is 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is CC(C)c1nc(-c2ccccc2Cl)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is NTTVNVQMJDKNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-9(2)12-13(15(3,4)18)19-14(17-12)10-7-5-6-8-11(10)16/h5-9,18H,1-4H3.
What are the key properties of 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 295.83 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82433890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).