1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine

C14H15FN2S — CID 116969853

IUPAC1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
SMILESCc1cc(-c2csc(CC3(N)CC3)n2)ccc1F
InChIInChI=1S/C14H15FN2S/c1-9-6-10(2-3-11(9)15)12-8-18-13(17-12)7-14(16)4-5-14/h2-3,6,8H,4-5,7,16H2,1H3
InChIKeyLGUWBJLUMRCZJN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.29
Rot. Bonds3

About 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine

1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine (PubChem CID 116969853) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
PubChem CID116969853
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
SMILESCc1cc(-c2csc(CC3(N)CC3)n2)ccc1F
InChIInChI=1S/C14H15FN2S/c1-9-6-10(2-3-11(9)15)12-8-18-13(17-12)7-14(16)4-5-14/h2-3,6,8H,4-5,7,16H2,1H3
InChIKeyLGUWBJLUMRCZJN-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969
1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
CID 116867993
4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79827658
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
CID 116891657
1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
CID 116969864
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 116964998
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine (CID 116969853) is 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine is Cc1cc(-c2csc(CC3(N)CC3)n2)ccc1F.
What is the InChIKey of 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
The InChIKey is LGUWBJLUMRCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-6-10(2-3-11(9)15)12-8-18-13(17-12)7-14(16)4-5-14/h2-3,6,8H,4-5,7,16H2,1H3.
What are the key properties of 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 116969853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).