2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide

C15H15N3OS — CID 58216656

IUPAC2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(C#N)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-15(2,8-16)10-5-3-9(4-6-10)12-7-11(13(17)19)14(18)20-12/h3-7H,18H2,1-2H3,(H2,17,19)
InChIKeyCVRIFHWWZBUMHF-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.90
Rot. Bonds3

About 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide

2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 58216656) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide
PubChem CID58216656
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(C#N)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-15(2,8-16)10-5-3-9(4-6-10)12-7-11(13(17)19)14(18)20-12/h3-7H,18H2,1-2H3,(H2,17,19)
InChIKeyCVRIFHWWZBUMHF-UHFFFAOYSA-N
XLogP2.90
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide (CID 58216656) is 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide is CC(C)(C#N)c1ccc(-c2cc(C(N)=O)c(N)s2)cc1.
What is the InChIKey of 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is CVRIFHWWZBUMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-15(2,8-16)10-5-3-9(4-6-10)12-7-11(13(17)19)14(18)20-12/h3-7H,18H2,1-2H3,(H2,17,19).
What are the key properties of 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide?
2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 58216656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).