3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide

C12H16F3N3OS — CID 103422800

IUPAC3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CCC(F)(F)F)cc1N
InChIInChI=1S/C12H16F3N3OS/c1-3-5-17-11(19)10-8(16)7-9(20-10)18(2)6-4-12(13,14)15/h3,7H,1,4-6,16H2,2H3,(H,17,19)
InChIKeyGSGPWWCVNWIZAJ-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.63
Rot. Bonds6

About 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103422800) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103422800
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CCC(F)(F)F)cc1N
InChIInChI=1S/C12H16F3N3OS/c1-3-5-17-11(19)10-8(16)7-9(20-10)18(2)6-4-12(13,14)15/h3,7H,1,4-6,16H2,2H3,(H,17,19)
InChIKeyGSGPWWCVNWIZAJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
N-propyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 44480863
5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 18129589
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 51291883
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55006979
4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61094705
3-amino-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61094706
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101959
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61105280
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61105281
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61107703
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 61108321

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide (CID 103422800) is 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N(C)CCC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is GSGPWWCVNWIZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-3-5-17-11(19)10-8(16)7-9(20-10)18(2)6-4-12(13,14)15/h3,7H,1,4-6,16H2,2H3,(H,17,19).
What are the key properties of 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103422800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).