2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide

C12H13F3N4OS2 — CID 120637590

IUPAC2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)c1csc(CCN)n1
InChIInChI=1S/C12H13F3N4OS2/c1-19(4-10-18-8(6-22-10)12(13,14)15)11(20)7-5-21-9(17-7)2-3-16/h5-6H,2-4,16H2,1H3
InChIKeyLVHYKGGMKRDYDV-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120637590) has the molecular formula C12H13F3N4OS2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID120637590
Molecular FormulaC12H13F3N4OS2
Molecular Weight350.39 g/mol
Exact Mass350.05
IUPAC Name2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)c1csc(CCN)n1
InChIInChI=1S/C12H13F3N4OS2/c1-19(4-10-18-8(6-22-10)12(13,14)15)11(20)7-5-21-9(17-7)2-3-16/h5-6H,2-4,16H2,1H3
InChIKeyLVHYKGGMKRDYDV-UHFFFAOYSA-N
XLogP2.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685824
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
CID 71983792
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758
2-(2-aminoethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646179
2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389490
2-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618133
2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 120637590) is 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LVHYKGGMKRDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS2/c1-19(4-10-18-8(6-22-10)12(13,14)15)11(20)7-5-21-9(17-7)2-3-16/h5-6H,2-4,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120637590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).