2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide

C14H20F3N5OS — CID 9269363

IUPAC2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(C2CC2)n1N
InChIInChI=1S/C14H20F3N5OS/c1-8(9-2-3-9)21(7-14(15,16)17)11(23)6-24-13-20-19-12(22(13)18)10-4-5-10/h8-10H,2-7,18H2,1H3/t8-/m0/s1
InChIKeyIFTSPZSWNKOZIN-QMMMGPOBSA-N
MW363.41 g/mol
LogP2.15
Rot. Bonds7

About 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 9269363) has the molecular formula C14H20F3N5OS and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID9269363
Molecular FormulaC14H20F3N5OS
Molecular Weight363.41 g/mol
Exact Mass363.13
IUPAC Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(C2CC2)n1N
InChIInChI=1S/C14H20F3N5OS/c1-8(9-2-3-9)21(7-14(15,16)17)11(23)6-24-13-20-19-12(22(13)18)10-4-5-10/h8-10H,2-7,18H2,1H3/t8-/m0/s1
InChIKeyIFTSPZSWNKOZIN-QMMMGPOBSA-N
XLogP2.15
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7863468
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31238744
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42051879
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7989805
N-[(1R)-1-cyclopropylethyl]-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 41280560
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 937719
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 9141655
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 9142166
2-(2-aminoethoxy)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79473073
3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948883
(5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 16597313
2-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 55036006

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 9269363) is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide is C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(C2CC2)n1N.
What is the InChIKey of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IFTSPZSWNKOZIN-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H20F3N5OS/c1-8(9-2-3-9)21(7-14(15,16)17)11(23)6-24-13-20-19-12(22(13)18)10-4-5-10/h8-10H,2-7,18H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 363.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 9269363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).