4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide

C11H11F3N4OS — CID 106219030

IUPAC4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2(C(F)(F)F)CC2)sc(C#N)c1N
InChIInChI=1S/C11H11F3N4OS/c1-17-8(19)6-7(16)5(4-15)20-9(6)18-10(2-3-10)11(12,13)14/h18H,2-3,16H2,1H3,(H,17,19)
InChIKeyICUYFZUNVRNHCA-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide

4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide (PubChem CID 106219030) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
PubChem CID106219030
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC Name4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2(C(F)(F)F)CC2)sc(C#N)c1N
InChIInChI=1S/C11H11F3N4OS/c1-17-8(19)6-7(16)5(4-15)20-9(6)18-10(2-3-10)11(12,13)14/h18H,2-3,16H2,1H3,(H,17,19)
InChIKeyICUYFZUNVRNHCA-UHFFFAOYSA-N
XLogP2.07
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-cyano-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
CID 106218979
3-amino-4-N-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2,4-dicarboxamide
CID 106219004
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
CID 103423667
4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508217
4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
CID 103425944
4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
3-amino-4-methoxy-N,N-dimethyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxamide
CID 106219038
4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 103423198
methyl 4-amino-5-cyano-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxylate
CID 106296505
4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide
CID 103422590
3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
CID 106218893

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide (CID 106219030) is 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide is CNC(=O)c1c(NC2(C(F)(F)F)CC2)sc(C#N)c1N.
What is the InChIKey of 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
The InChIKey is ICUYFZUNVRNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-17-8(19)6-7(16)5(4-15)20-9(6)18-10(2-3-10)11(12,13)14/h18H,2-3,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide?
4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 106219030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).