4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine

C14H18N2S — CID 116888422

IUPAC4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCc1ccccc1-c1nc(CCC(C)N)cs1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-13(10)14-16-12(9-17-14)8-7-11(2)15/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyYMMXHIFHTOJHFQ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.40
Rot. Bonds4

About 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine

4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine (PubChem CID 116888422) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine
PubChem CID116888422
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCc1ccccc1-c1nc(CCC(C)N)cs1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-13(10)14-16-12(9-17-14)8-7-11(2)15/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyYMMXHIFHTOJHFQ-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
CID 108775470
N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine
CID 22197508
2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527015
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888399
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888197
3-methyl-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butanenitrile
CID 116891535
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108760341

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
The IUPAC name of 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine (CID 116888422) is 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine.
What is the SMILES notation for 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
The canonical SMILES for 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine is Cc1ccccc1-c1nc(CCC(C)N)cs1.
What is the InChIKey of 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
The InChIKey is YMMXHIFHTOJHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-5-3-4-6-13(10)14-16-12(9-17-14)8-7-11(2)15/h3-6,9,11H,7-8,15H2,1-2H3.
What are the key properties of 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]butan-2-amine is sourced from PubChem (CID 116888422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).