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

C15H18ClFN2S — CID 105394886

IUPACN-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H18ClFN2S/c1-3-6-18-15(8-12-9-20-10(2)19-12)13-7-11(17)4-5-14(13)16/h4-5,7,9,15,18H,3,6,8H2,1-2H3
InChIKeyYQEKTDTZEXCPFG-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.53
Rot. Bonds6

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

N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 105394886) has the molecular formula C15H18ClFN2S and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID105394886
Molecular FormulaC15H18ClFN2S
Molecular Weight312.84 g/mol
Exact Mass312.09
IUPAC NameN-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H18ClFN2S/c1-3-6-18-15(8-12-9-20-10(2)19-12)13-7-11(17)4-5-14(13)16/h4-5,7,9,15,18H,3,6,8H2,1-2H3
InChIKeyYQEKTDTZEXCPFG-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-dichlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104996996
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826
N-[1-(5-fluoro-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 62798649
N-[1-(3-chloro-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104996982
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 66065316
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777
N-[1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115531098
N-[1-(3-bromo-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104997069
N-[1-(1-ethylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63968142
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 105394886) is N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1csc(C)n1)c1cc(F)ccc1Cl.
What is the InChIKey of N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is YQEKTDTZEXCPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2S/c1-3-6-18-15(8-12-9-20-10(2)19-12)13-7-11(17)4-5-14(13)16/h4-5,7,9,15,18H,3,6,8H2,1-2H3.
What are the key properties of N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 312.84 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105394886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).