2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide

C15H17F2N3OS — CID 120630074

IUPAC2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)c1csc(CCN)n1
InChIInChI=1S/C15H17F2N3OS/c1-2-20(8-10-11(16)4-3-5-12(10)17)15(21)13-9-22-14(19-13)6-7-18/h3-5,9H,2,6-8,18H2,1H3
InChIKeyFYMRCPXFKJTKHM-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 120630074) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID120630074
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1c(F)cccc1F)C(=O)c1csc(CCN)n1
InChIInChI=1S/C15H17F2N3OS/c1-2-20(8-10-11(16)4-3-5-12(10)17)15(21)13-9-22-14(19-13)6-7-18/h3-5,9H,2,6-8,18H2,1H3
InChIKeyFYMRCPXFKJTKHM-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 120630074) is 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCN(Cc1c(F)cccc1F)C(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is FYMRCPXFKJTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS/c1-2-20(8-10-11(16)4-3-5-12(10)17)15(21)13-9-22-14(19-13)6-7-18/h3-5,9H,2,6-8,18H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120630074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).