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

C14H16ClFN2S — CID 82106779

IUPAC2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1sc(CCN)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2S/c1-8(2)14-13(18-12(19-14)5-6-17)9-3-4-11(16)10(15)7-9/h3-4,7-8H,5-6,17H2,1-2H3
InChIKeyFXROMTDSLGEEPW-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.23
Rot. Bonds4

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

2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine (PubChem CID 82106779) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
PubChem CID82106779
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)c1sc(CCN)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2S/c1-8(2)14-13(18-12(19-14)5-6-17)9-3-4-11(16)10(15)7-9/h3-4,7-8H,5-6,17H2,1-2H3
InChIKeyFXROMTDSLGEEPW-UHFFFAOYSA-N
XLogP4.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine (CID 82106779) is 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine is CC(C)c1sc(CCN)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is FXROMTDSLGEEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-8(2)14-13(18-12(19-14)5-6-17)9-3-4-11(16)10(15)7-9/h3-4,7-8H,5-6,17H2,1-2H3.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine?
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 298.81 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82106779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).