3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide

C15H23N3OS — CID 103423879

IUPAC3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
SMILESCC(C)CNc1sc(C(=O)NC2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H23N3OS/c1-8(2)7-17-15-11(9-3-4-9)12(16)13(20-15)14(19)18-10-5-6-10/h8-10,17H,3-7,16H2,1-2H3,(H,18,19)
InChIKeyVUKYBBGHVJKPRR-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.17
Rot. Bonds6

About 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide

3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide (PubChem CID 103423879) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
PubChem CID103423879
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
SMILESCC(C)CNc1sc(C(=O)NC2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H23N3OS/c1-8(2)7-17-15-11(9-3-4-9)12(16)13(20-15)14(19)18-10-5-6-10/h8-10,17H,3-7,16H2,1-2H3,(H,18,19)
InChIKeyVUKYBBGHVJKPRR-UHFFFAOYSA-N
XLogP3.17
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide (CID 103423879) is 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide is CC(C)CNc1sc(C(=O)NC2CC2)c(N)c1C1CC1.
What is the InChIKey of 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
The InChIKey is VUKYBBGHVJKPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-8(2)7-17-15-11(9-3-4-9)12(16)13(20-15)14(19)18-10-5-6-10/h8-10,17H,3-7,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103423879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).