3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide

C14H20N4OS — CID 103427568

IUPAC3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC(C)C2CC2)c(C#N)c1N
InChIInChI=1S/C14H20N4OS/c1-3-6-17-13(19)12-11(16)10(7-15)14(20-12)18-8(2)9-4-5-9/h8-9,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyKOLUZDBVAYJNNA-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.55
Rot. Bonds6

About 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide

3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide (PubChem CID 103427568) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
PubChem CID103427568
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC(C)C2CC2)c(C#N)c1N
InChIInChI=1S/C14H20N4OS/c1-3-6-17-13(19)12-11(16)10(7-15)14(20-12)18-8(2)9-4-5-9/h8-9,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyKOLUZDBVAYJNNA-UHFFFAOYSA-N
XLogP2.55
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide (CID 103427568) is 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NC(C)C2CC2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide?
The InChIKey is KOLUZDBVAYJNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-6-17-13(19)12-11(16)10(7-15)14(20-12)18-8(2)9-4-5-9/h8-9,18H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide?
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103427568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).