N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine

C13H15ClN2S — CID 104879207

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1CNCc1ncc(Cl)s1
InChIInChI=1S/C13H15ClN2S/c1-2-10-5-3-4-6-11(10)7-15-9-13-16-8-12(14)17-13/h3-6,8,15H,2,7,9H2,1H3
InChIKeySRLFOXUYBLYZOR-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.65
Rot. Bonds5

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine (PubChem CID 104879207) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
PubChem CID104879207
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1CNCc1ncc(Cl)s1
InChIInChI=1S/C13H15ClN2S/c1-2-10-5-3-4-6-11(10)7-15-9-13-16-8-12(14)17-13/h3-6,8,15H,2,7,9H2,1H3
InChIKeySRLFOXUYBLYZOR-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
1-phenyl-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 64483040
(1S)-1-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 93671968
(1R)-1-(4-bromophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 121532865
1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine
CID 172536180
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 42656310
(5-Methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43558967
1-(2-fluorophenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272530
1-(4-fluorophenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272663
N-[(4-fluoro-2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55137849
N-methyl-1-(1,3-thiazol-2-yl)-1-(3,4,5-trifluorophenyl)methanamine
CID 55146974

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine (CID 104879207) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine is CCc1ccccc1CNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
The InChIKey is SRLFOXUYBLYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-10-5-3-4-6-11(10)7-15-9-13-16-8-12(14)17-13/h3-6,8,15H,2,7,9H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine has a molecular weight of 266.80 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine is sourced from PubChem (CID 104879207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).