3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide

C12H16F3N3O2S — CID 106219038

IUPAC3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
SMILESCOc1c(NC2(C(F)(F)F)CC2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C12H16F3N3O2S/c1-18(2)10(19)8-6(16)7(20-3)9(21-8)17-11(4-5-11)12(13,14)15/h17H,4-5,16H2,1-3H3
InChIKeyYKCQOUOPPQNHRX-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.55
Rot. Bonds4

About 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide

3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide (PubChem CID 106219038) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
PubChem CID106219038
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
SMILESCOc1c(NC2(C(F)(F)F)CC2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C12H16F3N3O2S/c1-18(2)10(19)8-6(16)7(20-3)9(21-8)17-11(4-5-11)12(13,14)15/h17H,4-5,16H2,1-3H3
InChIKeyYKCQOUOPPQNHRX-UHFFFAOYSA-N
XLogP2.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide (CID 106219038) is 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide is COc1c(NC2(C(F)(F)F)CC2)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
The InChIKey is YKCQOUOPPQNHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-18(2)10(19)8-6(16)7(20-3)9(21-8)17-11(4-5-11)12(13,14)15/h17H,4-5,16H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide?
3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 106219038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).