[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine

C11H10F2N2S — CID 115528203

IUPAC[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C11H10F2N2S/c12-10(13)7-2-1-3-8(4-7)11-15-9(5-14)6-16-11/h1-4,6,10H,5,14H2
InChIKeyJQMASVCRDGFHAH-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.21
Rot. Bonds3

About [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine

[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 115528203) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
PubChem CID115528203
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(-c2cccc(C(F)F)c2)n1
InChIInChI=1S/C11H10F2N2S/c12-10(13)7-2-1-3-8(4-7)11-15-9(5-14)6-16-11/h1-4,6,10H,5,14H2
InChIKeyJQMASVCRDGFHAH-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 115528210
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
2-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 95472481
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431

Frequently Asked Questions

What is the IUPAC name of [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine (CID 115528203) is [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine is NCc1csc(-c2cccc(C(F)F)c2)n1.
What is the InChIKey of [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is JQMASVCRDGFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c12-10(13)7-2-1-3-8(4-7)11-15-9(5-14)6-16-11/h1-4,6,10H,5,14H2.
What are the key properties of [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine?
[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 240.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 115528203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).