3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C10H11F3N2OS — CID 55006979

IUPAC3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)5-15(6-1-2-6)9(16)8-7(14)3-4-17-8/h3-4,6H,1-2,5,14H2
InChIKeyGZSMJTVTCMWMSG-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.50
Rot. Bonds3

About 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 55006979) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID55006979
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)5-15(6-1-2-6)9(16)8-7(14)3-4-17-8/h3-4,6H,1-2,5,14H2
InChIKeyGZSMJTVTCMWMSG-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729739
3-[(2,2,2-Trifluoroacetyl)amino]thiophene-2-carboxamide
CID 2807695
3-amino-N-methylthiophene-2-carboxamide
CID 10678477
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363
2-[(3-Ethyl-4-isopropyl-1-piperazinyl)carbonyl]-3-thiophenamine
CID 70779311
2,2,2-trifluoro-N-methyl-N-((4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)methyl)acetamide
CID 135971247
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 25596958
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 39980338
3-(3-Amino-1,1,1-trifluoropropan-2-yl)thieno[3,2-d]pyrimidin-4-one
CID 43752834
3-amino-N-[(2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54978605
3-amino-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54978649
4-amino-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55006353

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 55006979) is 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is GZSMJTVTCMWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)5-15(6-1-2-6)9(16)8-7(14)3-4-17-8/h3-4,6H,1-2,5,14H2.
What are the key properties of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 264.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55006979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).