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

C15H18ClNOS — CID 66058492

IUPAC2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCC(CO)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClNOS/c1-11-15(19-10-17-11)7-6-12(9-18)8-13-4-2-3-5-14(13)16/h2-5,10,12,18H,6-9H2,1H3
InChIKeyYBDYBECKSMLVDX-UHFFFAOYSA-N
MW295.83 g/mol
LogP3.89
Rot. Bonds6

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

2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (PubChem CID 66058492) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
PubChem CID66058492
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCC(CO)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClNOS/c1-11-15(19-10-17-11)7-6-12(9-18)8-13-4-2-3-5-14(13)16/h2-5,10,12,18H,6-9H2,1H3
InChIKeyYBDYBECKSMLVDX-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380
1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718502
2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol
CID 66058467
2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79454525
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 115958359
2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515744
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
CID 106459475
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
5-[3-(chloromethyl)-4-(4-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66036397
2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
CID 72887014
N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766
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-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (CID 66058492) is 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is Cc1ncsc1CCC(CO)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The InChIKey is YBDYBECKSMLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-11-15(19-10-17-11)7-6-12(9-18)8-13-4-2-3-5-14(13)16/h2-5,10,12,18H,6-9H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol has a molecular weight of 295.83 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 66058492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).