2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

C15H16F2N4O2S — CID 120630619

IUPAC2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1csc(CCN)n1
InChIInChI=1S/C15H16F2N4O2S/c1-21(15(23)12-8-24-14(20-12)2-3-18)7-13(22)19-11-5-9(16)4-10(17)6-11/h4-6,8H,2-3,7,18H2,1H3,(H,19,22)
InChIKeyHGMCUOUKIFNARR-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.63
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 120630619) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID120630619
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1csc(CCN)n1
InChIInChI=1S/C15H16F2N4O2S/c1-21(15(23)12-8-24-14(20-12)2-3-18)7-13(22)19-11-5-9(16)4-10(17)6-11/h4-6,8H,2-3,7,18H2,1H3,(H,19,22)
InChIKeyHGMCUOUKIFNARR-UHFFFAOYSA-N
XLogP1.63
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617526
2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389490
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
2-(2-aminoethyl)-N-(3-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66390308
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590
2-(2-aminoethyl)-N-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568
2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758
2-(2-aminoethyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617230

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 120630619) is 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HGMCUOUKIFNARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c1-21(15(23)12-8-24-14(20-12)2-3-18)7-13(22)19-11-5-9(16)4-10(17)6-11/h4-6,8H,2-3,7,18H2,1H3,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120630619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).