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

C12H12ClFN2S — CID 79765216

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cnc(Cl)s1
InChIInChI=1S/C12H12ClFN2S/c1-16(8-11-6-15-12(13)17-11)7-9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3
InChIKeyRQFFGLGWPWOGOV-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.57
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 79765216) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID79765216
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cnc(Cl)s1
InChIInChI=1S/C12H12ClFN2S/c1-16(8-11-6-15-12(13)17-11)7-9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3
InChIKeyRQFFGLGWPWOGOV-UHFFFAOYSA-N
XLogP3.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 79765350
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 79764459
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79764595
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
CID 81493193
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082
5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898326
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine
CID 79765211
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903914
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606318

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine (CID 79765216) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine is CN(Cc1ccc(F)cc1)Cc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is RQFFGLGWPWOGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-16(8-11-6-15-12(13)17-11)7-9-2-4-10(14)5-3-9/h2-6H,7-8H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 270.76 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 79765216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).