4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole

C13H15NS — CID 21365787

IUPAC4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
SMILESCc1csc(C(C)Cc2ccccc2)n1
InChIInChI=1S/C13H15NS/c1-10(13-14-11(2)9-15-13)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyPZZRRNGCODQSCK-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.80
Rot. Bonds3

About 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole

4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole (PubChem CID 21365787) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
PubChem CID21365787
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
SMILESCc1csc(C(C)Cc2ccccc2)n1
InChIInChI=1S/C13H15NS/c1-10(13-14-11(2)9-15-13)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyPZZRRNGCODQSCK-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 61330730
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
1-(4-methyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 113451251
N-[1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropyl]cyclopropanamine
CID 55128930
benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid
CID 66716649
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426
2,4-bis(4-methyl-1,3-thiazol-2-yl)-1,5-bis(4-phenylmethoxyphenyl)pentan-3-one
CID 174437051
2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 91425019
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122001041
4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole
CID 163565018

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole (CID 21365787) is 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole is Cc1csc(C(C)Cc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole?
The InChIKey is PZZRRNGCODQSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-10(13-14-11(2)9-15-13)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole?
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 21365787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).