2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

C16H21NOS — CID 66060380

IUPAC2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ccccc1CC(CO)CCc1scnc1C
InChIInChI=1S/C16H21NOS/c1-12-5-3-4-6-15(12)9-14(10-18)7-8-16-13(2)17-11-19-16/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyXSWJKBGANILBSN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.54
Rot. Bonds6

About 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (PubChem CID 66060380) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
PubChem CID66060380
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ccccc1CC(CO)CCc1scnc1C
InChIInChI=1S/C16H21NOS/c1-12-5-3-4-6-15(12)9-14(10-18)7-8-16-13(2)17-11-19-16/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyXSWJKBGANILBSN-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66058492
N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069766
2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79454525
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
4-(4-bromophenoxy)-2-[(2-methylphenyl)methyl]butan-1-ol
CID 66058675
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 66060376
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
5-ethylsulfanyl-2-[(2-methylphenyl)methyl]pentan-1-ol
CID 113474720
N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515902

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (CID 66060380) is 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is Cc1ccccc1CC(CO)CCc1scnc1C.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The InChIKey is XSWJKBGANILBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-5-3-4-6-15(12)9-14(10-18)7-8-16-13(2)17-11-19-16/h3-6,11,14,18H,7-10H2,1-2H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol has a molecular weight of 275.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 66060380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).