2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C15H17F2N3O2S — CID 120621971

IUPAC2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CCN)n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N3O2S/c1-9(10-3-2-4-11(7-10)22-15(16)17)19-14(21)12-8-23-13(20-12)5-6-18/h2-4,7-9,15H,5-6,18H2,1H3,(H,19,21)
InChIKeyVVRITEQUJJRQLC-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.74
Rot. Bonds7

About 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120621971) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120621971
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CCN)n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N3O2S/c1-9(10-3-2-4-11(7-10)22-15(16)17)19-14(21)12-8-23-13(20-12)5-6-18/h2-4,7-9,15H,5-6,18H2,1H3,(H,19,21)
InChIKeyVVRITEQUJJRQLC-UHFFFAOYSA-N
XLogP2.74
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623754
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120639941
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 120621971) is 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(CCN)n1)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VVRITEQUJJRQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-9(10-3-2-4-11(7-10)22-15(16)17)19-14(21)12-8-23-13(20-12)5-6-18/h2-4,7-9,15H,5-6,18H2,1H3,(H,19,21).
What are the key properties of 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120621971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).