2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide

C15H17F2N3OS — CID 120635511

IUPAC2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(CCN)n1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3OS/c1-2-12(10-7-9(16)3-4-11(10)17)20-15(21)13-8-22-14(19-13)5-6-18/h3-4,7-8,12H,2,5-6,18H2,1H3,(H,20,21)
InChIKeyPJYOSSBDJBDKAG-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.80
Rot. Bonds6

About 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 120635511) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID120635511
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(CCN)n1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3OS/c1-2-12(10-7-9(16)3-4-11(10)17)20-15(21)13-8-22-14(19-13)5-6-18/h3-4,7-8,12H,2,5-6,18H2,1H3,(H,20,21)
InChIKeyPJYOSSBDJBDKAG-UHFFFAOYSA-N
XLogP2.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120623141
2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638123
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
CID 120637734
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621650
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120620229
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(aminomethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816092

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide (CID 120635511) is 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide is CCC(NC(=O)c1csc(CCN)n1)c1cc(F)ccc1F.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PJYOSSBDJBDKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS/c1-2-12(10-7-9(16)3-4-11(10)17)20-15(21)13-8-22-14(19-13)5-6-18/h3-4,7-8,12H,2,5-6,18H2,1H3,(H,20,21).
What are the key properties of 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120635511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).