1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine

C12H10ClF3N2S — CID 106784013

IUPAC1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10ClF3N2S/c1-17-5-7-2-3-8(13)4-9(7)10-6-18-11(19-10)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeyWXXWFNNFYXOECV-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.20
Rot. Bonds3

About 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine

1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine (PubChem CID 106784013) has the molecular formula C12H10ClF3N2S and a molecular weight of 306.74 g/mol. Its IUPAC name is 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
PubChem CID106784013
Molecular FormulaC12H10ClF3N2S
Molecular Weight306.74 g/mol
Exact Mass306.02
IUPAC Name1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H10ClF3N2S/c1-17-5-7-2-3-8(13)4-9(7)10-6-18-11(19-10)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeyWXXWFNNFYXOECV-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
CID 106783947
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 144826203
N-[[3-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]propan-1-amine
CID 106783983
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
1-[5-chloro-2-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79824960
[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine
CID 106783883
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 115502878
N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine
CID 106888389
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 64554992

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine (CID 106784013) is 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is WXXWFNNFYXOECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2S/c1-17-5-7-2-3-8(13)4-9(7)10-6-18-11(19-10)12(14,15)16/h2-4,6,17H,5H2,1H3.
What are the key properties of 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 306.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106784013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).