[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine

C14H18N2S — CID 39349446

IUPAC[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1sc(CN)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-9(2)11-4-6-12(7-5-11)14-10(3)17-13(8-15)16-14/h4-7,9H,8,15H2,1-3H3
InChIKeyMDZSZIUJZPXESE-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.70
Rot. Bonds3

About [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine

[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 39349446) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID39349446
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1sc(CN)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2S/c1-9(2)11-4-6-12(7-5-11)14-10(3)17-13(8-15)16-14/h4-7,9H,8,15H2,1-3H3
InChIKeyMDZSZIUJZPXESE-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82102760
(5-methyl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106270
5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 39373637
(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106363
2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
CID 82483133
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
CID 82044166
[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061892
[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine
CID 58495685
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]methanamine
CID 62633586

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine (CID 39349446) is [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine is Cc1sc(CN)nc1-c1ccc(C(C)C)cc1.
What is the InChIKey of [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is MDZSZIUJZPXESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9(2)11-4-6-12(7-5-11)14-10(3)17-13(8-15)16-14/h4-7,9H,8,15H2,1-3H3.
What are the key properties of [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 39349446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).