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

C14H17NOS — CID 115091382

IUPAC2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCc1cccc(Cc2ncc(C(C)CO)s2)c1
InChIInChI=1S/C14H17NOS/c1-10-4-3-5-12(6-10)7-14-15-8-13(17-14)11(2)9-16/h3-6,8,11,16H,7,9H2,1-2H3
InChIKeyFOAFCDVMHLXZNO-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.14
Rot. Bonds4

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

2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 115091382) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol
PubChem CID115091382
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCc1cccc(Cc2ncc(C(C)CO)s2)c1
InChIInChI=1S/C14H17NOS/c1-10-4-3-5-12(6-10)7-14-15-8-13(17-14)11(2)9-16/h3-6,8,11,16H,7,9H2,1-2H3
InChIKeyFOAFCDVMHLXZNO-UHFFFAOYSA-N
XLogP3.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
2-(2-thiophen-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 115091257
2-(3-methylphenyl)propan-1-ol
CID 21478686
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
5-(chloromethyl)-4-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazole
CID 59823745
3-iodo-5-[(3-methylphenyl)methyl]-1,2,4-thiadiazole
CID 102943686
2-[(3-methylphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975201
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090223
N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 114265720
2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 45479114
1-[2-(2-phenylethyl)-1,3-thiazol-5-yl]ethanol
CID 62651396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol (CID 115091382) is 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol is Cc1cccc(Cc2ncc(C(C)CO)s2)c1.
What is the InChIKey of 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is FOAFCDVMHLXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-4-3-5-12(6-10)7-14-15-8-13(17-14)11(2)9-16/h3-6,8,11,16H,7,9H2,1-2H3.
What are the key properties of 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol?
2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 115091382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).