1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine

C13H15FN2S — CID 112677183

IUPAC1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2ccccc2F)c(C)s1
InChIInChI=1S/C13H15FN2S/c1-3-11(15)13-16-12(8(2)17-13)9-6-4-5-7-10(9)14/h4-7,11H,3,15H2,1-2H3
InChIKeySVJBYTCWZRECGW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.67
Rot. Bonds3

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

1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 112677183) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
PubChem CID112677183
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2ccccc2F)c(C)s1
InChIInChI=1S/C13H15FN2S/c1-3-11(15)13-16-12(8(2)17-13)9-6-4-5-7-10(9)14/h4-7,11H,3,15H2,1-2H3
InChIKeySVJBYTCWZRECGW-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 61336837
4-(2-fluorophenyl)-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 112677103
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868773
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 114058402
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 115994516
1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
CID 112583395
1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 112679312
1-(4-tert-butyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 130964625
1-(2-fluorophenyl)propan-1-amine
CID 18439474
4-(2-bromophenyl)-2-(1-ethoxyethyl)-5-methyl-1,3-thiazole
CID 79839551
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine (CID 112677183) is 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is CCC(N)c1nc(-c2ccccc2F)c(C)s1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is SVJBYTCWZRECGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-3-11(15)13-16-12(8(2)17-13)9-6-4-5-7-10(9)14/h4-7,11H,3,15H2,1-2H3.
What are the key properties of 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine?
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 112677183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).