[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine

C14H15FN2S — CID 116865375

IUPAC[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
SMILESCc1sc(C2(CN)CC2)nc1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2S/c1-9-12(10-3-2-4-11(15)7-10)17-13(18-9)14(8-16)5-6-14/h2-4,7H,5-6,8,16H2,1H3
InChIKeyNMQYHKBSLXPMKP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.25
Rot. Bonds3

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

[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine (PubChem CID 116865375) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
PubChem CID116865375
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
SMILESCc1sc(C2(CN)CC2)nc1-c1cccc(F)c1
InChIInChI=1S/C14H15FN2S/c1-9-12(10-3-2-4-11(15)7-10)17-13(18-9)14(8-16)5-6-14/h2-4,7H,5-6,8,16H2,1H3
InChIKeyNMQYHKBSLXPMKP-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 114872035
[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865366
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
2-bromo-4-methyl-5-(3-methylphenyl)-1,3-thiazole;4-(3-fluorophenyl)-2,5-dimethyl-1,3-thiazole
CID 143754526
[1-(4-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
CID 113309244
ethyl 2-bromo-4-(3-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 131867352
3-fluoro-2-(3-fluorophenyl)-6-methylpyridine
CID 46312581
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106600
2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 114872284
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine (CID 116865375) is [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine is Cc1sc(C2(CN)CC2)nc1-c1cccc(F)c1.
What is the InChIKey of [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
The InChIKey is NMQYHKBSLXPMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-12(10-3-2-4-11(15)7-10)17-13(18-9)14(8-16)5-6-14/h2-4,7H,5-6,8,16H2,1H3.
What are the key properties of [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine?
[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine has a molecular weight of 262.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116865375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).