[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C13H13Cl2NOS — CID 82435026

IUPAC[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(-c2ccc(Cl)c(Cl)c2)sc1CO
InChIInChI=1S/C13H13Cl2NOS/c1-7(2)12-11(6-17)18-13(16-12)8-3-4-9(14)10(15)5-8/h3-5,7,17H,6H2,1-2H3
InChIKeyHWVLVRUTZNOXLI-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.73
Rot. Bonds3

About [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 82435026) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID82435026
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(-c2ccc(Cl)c(Cl)c2)sc1CO
InChIInChI=1S/C13H13Cl2NOS/c1-7(2)12-11(6-17)18-13(16-12)8-3-4-9(14)10(15)5-8/h3-5,7,17H,6H2,1-2H3
InChIKeyHWVLVRUTZNOXLI-UHFFFAOYSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromo-4-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365441
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080
[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433632
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
2-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 81492328
1-[2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 21051230
N-[[4-tert-butyl-2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362614
[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82433931
[2-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961573
(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361436
[2-[(4-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433809
4-[4-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889307

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 82435026) is [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(-c2ccc(Cl)c(Cl)c2)sc1CO.
What is the InChIKey of [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is HWVLVRUTZNOXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c1-7(2)12-11(6-17)18-13(16-12)8-3-4-9(14)10(15)5-8/h3-5,7,17H,6H2,1-2H3.
What are the key properties of [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 302.23 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82435026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).