2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide

C9H8F3N5OS2 — CID 120620106

IUPAC2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C9H8F3N5OS2/c10-9(11,12)7-16-17-8(20-7)15-6(18)4-3-19-5(14-4)1-2-13/h3H,1-2,13H2,(H,15,17,18)
InChIKeyGUCDSENJIATMAJ-UHFFFAOYSA-N
MW323.33 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 120620106) has the molecular formula C9H8F3N5OS2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID120620106
Molecular FormulaC9H8F3N5OS2
Molecular Weight323.33 g/mol
Exact Mass323.01
IUPAC Name2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2nnc(C(F)(F)F)s2)cs1
InChIInChI=1S/C9H8F3N5OS2/c10-9(11,12)7-16-17-8(20-7)15-6(18)4-3-19-5(14-4)1-2-13/h3H,1-2,13H2,(H,15,17,18)
InChIKeyGUCDSENJIATMAJ-UHFFFAOYSA-N
XLogP1.77
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 107641921
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66389270
2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616958
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
ethyl 2-[[5-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 120616917
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688142
2-(2-aminoethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120624911

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 120620106) is 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2nnc(C(F)(F)F)s2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GUCDSENJIATMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS2/c10-9(11,12)7-16-17-8(20-7)15-6(18)4-3-19-5(14-4)1-2-13/h3H,1-2,13H2,(H,15,17,18).
What are the key properties of 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120620106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).