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

C16H20ClFN2S — CID 114859194

IUPACN-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(CC)c(C)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H20ClFN2S/c1-4-8-19-15(12-7-6-11(17)9-13(12)18)16-20-14(5-2)10(3)21-16/h6-7,9,15,19H,4-5,8H2,1-3H3
InChIKeyFHGREKYVHJJDKX-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.90
Rot. Bonds6

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

N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 114859194) has the molecular formula C16H20ClFN2S and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID114859194
Molecular FormulaC16H20ClFN2S
Molecular Weight326.87 g/mol
Exact Mass326.10
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(CC)c(C)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H20ClFN2S/c1-4-8-19-15(12-7-6-11(17)9-13(12)18)16-20-14(5-2)10(3)21-16/h6-7,9,15,19H,4-5,8H2,1-3H3
InChIKeyFHGREKYVHJJDKX-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114859171
N-[(4-chloro-2-fluorophenyl)-(2,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 105173619
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
N-[(4-chloro-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 43496871
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61336237
N-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
1-(2,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61330943
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495934
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851
N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114859205

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 114859194) is N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(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]propan-1-amine?
The InChIKey is FHGREKYVHJJDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2S/c1-4-8-19-15(12-7-6-11(17)9-13(12)18)16-20-14(5-2)10(3)21-16/h6-7,9,15,19H,4-5,8H2,1-3H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 326.87 g/mol, XLogP of 4.90, 6 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]propan-1-amine is sourced from PubChem (CID 114859194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).