4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile

C15H16N2OS — CID 82426066

IUPAC4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(COc2cccc(C(C)C)c2)sc1C#N
InChIInChI=1S/C15H16N2OS/c1-10(2)12-5-4-6-13(7-12)18-9-15-17-11(3)14(8-16)19-15/h4-7,10H,9H2,1-3H3
InChIKeyWPTOGKZQUFNZFW-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.03
Rot. Bonds4

About 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile

4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82426066) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile
PubChem CID82426066
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(COc2cccc(C(C)C)c2)sc1C#N
InChIInChI=1S/C15H16N2OS/c1-10(2)12-5-4-6-13(7-12)18-9-15-17-11(3)14(8-16)19-15/h4-7,10H,9H2,1-3H3
InChIKeyWPTOGKZQUFNZFW-UHFFFAOYSA-N
XLogP4.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82434280
2-[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82422897
2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82426009
N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
CID 86191154
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
4-methyl-2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82154153
4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82426776
N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193815
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434130
2-[2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434282
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile (CID 82426066) is 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile is Cc1nc(COc2cccc(C(C)C)c2)sc1C#N.
What is the InChIKey of 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is WPTOGKZQUFNZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10(2)12-5-4-6-13(7-12)18-9-15-17-11(3)14(8-16)19-15/h4-7,10H,9H2,1-3H3.
What are the key properties of 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82426066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).