1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one

C14H19F3N2OS — CID 103422812

IUPAC1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)CCC(F)(F)F)c(C2CC2)c1N
InChIInChI=1S/C14H19F3N2OS/c1-3-9(20)12-11(18)10(8-4-5-8)13(21-12)19(2)7-6-14(15,16)17/h8H,3-7,18H2,1-2H3
InChIKeyVKTKDWXZQQDUQR-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.19
Rot. Bonds6

About 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one

1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one (PubChem CID 103422812) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
PubChem CID103422812
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)CCC(F)(F)F)c(C2CC2)c1N
InChIInChI=1S/C14H19F3N2OS/c1-3-9(20)12-11(18)10(8-4-5-8)13(21-12)19(2)7-6-14(15,16)17/h8H,3-7,18H2,1-2H3
InChIKeyVKTKDWXZQQDUQR-UHFFFAOYSA-N
XLogP4.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one with MolForge

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Related Compounds

4-Amino-5-(cyclopropanecarbonyl)-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carbonitrile
CID 103422796
4-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103422797
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422803
1-[3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
CID 103422805
1-[3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
CID 103422807
[3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422811
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2,4-dicarboxamide
CID 103422819
4-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103422820
1-[3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103422824
1-[3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
CID 103422831
5-Acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carbonitrile
CID 103422839
5-Acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422841

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one (CID 103422812) is 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(C)CCC(F)(F)F)c(C2CC2)c1N.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
The InChIKey is VKTKDWXZQQDUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-3-9(20)12-11(18)10(8-4-5-8)13(21-12)19(2)7-6-14(15,16)17/h8H,3-7,18H2,1-2H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one?
1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one has a molecular weight of 320.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103422812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).