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

C15H18ClFN2S — CID 114859171

IUPACN-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(CC)c(C)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN2S/c1-4-13-9(3)20-15(19-13)14(18-5-2)11-7-6-10(16)8-12(11)17/h6-8,14,18H,4-5H2,1-3H3
InChIKeyGBQNFPADOKRZFV-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.51
Rot. Bonds5

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

N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 114859171) has the molecular formula C15H18ClFN2S and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID114859171
Molecular FormulaC15H18ClFN2S
Molecular Weight312.84 g/mol
Exact Mass312.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(CC)c(C)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN2S/c1-4-13-9(3)20-15(19-13)14(18-5-2)11-7-6-10(16)8-12(11)17/h6-8,14,18H,4-5H2,1-3H3
InChIKeyGBQNFPADOKRZFV-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194
N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61336237
1-(2,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61330943
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 61332174
N-[(4-chloro-2-fluorophenyl)-(2,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 105173619
N-[(2-ethoxyphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61332177
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114859205
N-[(4-chloro-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 43496871
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 114859171) is N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(CC)c(C)s1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is GBQNFPADOKRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2S/c1-4-13-9(3)20-15(19-13)14(18-5-2)11-7-6-10(16)8-12(11)17/h6-8,14,18H,4-5H2,1-3H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 312.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114859171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).