[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine

C14H15FN2S — CID 114361984

IUPAC[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cc(F)cc(-c2nc(C3CC3)c(CN)s2)c1
InChIInChI=1S/C14H15FN2S/c1-8-4-10(6-11(15)5-8)14-17-13(9-2-3-9)12(7-16)18-14/h4-6,9H,2-3,7,16H2,1H3
InChIKeyIOUWRUKGNTXENN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.59
Rot. Bonds3

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

[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361984) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361984
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cc(F)cc(-c2nc(C3CC3)c(CN)s2)c1
InChIInChI=1S/C14H15FN2S/c1-8-4-10(6-11(15)5-8)14-17-13(9-2-3-9)12(7-16)18-14/h4-6,9H,2-3,7,16H2,1H3
InChIKeyIOUWRUKGNTXENN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367354
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
CID 82436375
[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114361920
N-[[2-(3-bromo-5-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367216
N-[[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365703
(4-cyclopropyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361944
N-[[4-cyclopropyl-2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367335
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361794
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanamine
CID 82436315

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine (CID 114361984) is [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine is Cc1cc(F)cc(-c2nc(C3CC3)c(CN)s2)c1.
What is the InChIKey of [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is IOUWRUKGNTXENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-8-4-10(6-11(15)5-8)14-17-13(9-2-3-9)12(7-16)18-14/h4-6,9H,2-3,7,16H2,1H3.
What are the key properties of [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).