[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone

C14H15FN2OS — CID 106883071

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2csc(C(C)N)n2)c(F)c1
InChIInChI=1S/C14H15FN2OS/c1-7-4-8(2)12(10(15)5-7)13(18)11-6-19-14(17-11)9(3)16/h4-6,9H,16H2,1-3H3
InChIKeyVCOYRGGLPNQAQV-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.15
Rot. Bonds3

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106883071) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106883071
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2csc(C(C)N)n2)c(F)c1
InChIInChI=1S/C14H15FN2OS/c1-7-4-8(2)12(10(15)5-7)13(18)11-6-19-14(17-11)9(3)16/h4-6,9H,16H2,1-3H3
InChIKeyVCOYRGGLPNQAQV-UHFFFAOYSA-N
XLogP3.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291046
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66373820
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
(2-fluoro-4,6-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 106883197
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
CID 116585880
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluorophenyl)ethanone
CID 116585635
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 106883369
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81377841

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106883071) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2csc(C(C)N)n2)c(F)c1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is VCOYRGGLPNQAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-7-4-8(2)12(10(15)5-7)13(18)11-6-19-14(17-11)9(3)16/h4-6,9H,16H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106883071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).