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

C14H17NOS — CID 82433632

IUPAC[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCc1ccccc1-c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C14H17NOS/c1-9(2)13-12(8-16)17-14(15-13)11-7-5-4-6-10(11)3/h4-7,9,16H,8H2,1-3H3
InChIKeyNBVFSTDXRZTDTN-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.73
Rot. Bonds3

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

[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 82433632) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID82433632
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCc1ccccc1-c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C14H17NOS/c1-9(2)13-12(8-16)17-14(15-13)11-7-5-4-6-10(11)3/h4-7,9,16H,8H2,1-3H3
InChIKeyNBVFSTDXRZTDTN-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 23560686
[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82435026
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434874
N-[[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428213
[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434183
2-(2-methylphenyl)-5-(2-methylpropyl)-1,3-thiazole-4-carbaldehyde
CID 89093508
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465
[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434317
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 82433632) is [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is Cc1ccccc1-c1nc(C(C)C)c(CO)s1.
What is the InChIKey of [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is NBVFSTDXRZTDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9(2)13-12(8-16)17-14(15-13)11-7-5-4-6-10(11)3/h4-7,9,16H,8H2,1-3H3.
What are the key properties of [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 247.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82433632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).