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

C13H13Cl2NOS — CID 82432702

IUPAC[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(-c2ccc(Cl)cc2Cl)sc1CO
InChIInChI=1S/C13H13Cl2NOS/c1-2-3-11-12(7-17)18-13(16-11)9-5-4-8(14)6-10(9)15/h4-6,17H,2-3,7H2,1H3
InChIKeyLVNCBUPAVVNEPS-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.56
Rot. Bonds4

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

[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 82432702) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID82432702
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(-c2ccc(Cl)cc2Cl)sc1CO
InChIInChI=1S/C13H13Cl2NOS/c1-2-3-11-12(7-17)18-13(16-11)9-5-4-8(14)6-10(9)15/h4-6,17H,2-3,7H2,1H3
InChIKeyLVNCBUPAVVNEPS-UHFFFAOYSA-N
XLogP4.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-chloro-2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106819798
2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
CID 82430143
[2-(4-chloro-2-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 122476710
2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430140
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193718
[2-[(3-chlorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82431984
2-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360505
3-(2,4-dichlorophenyl)-2-ethyl-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035359
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839
[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol (CID 82432702) is [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(-c2ccc(Cl)cc2Cl)sc1CO.
What is the InChIKey of [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is LVNCBUPAVVNEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c1-2-3-11-12(7-17)18-13(16-11)9-5-4-8(14)6-10(9)15/h4-6,17H,2-3,7H2,1H3.
What are the key properties of [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol?
[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 302.23 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82432702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).