3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide

C14H15N3OS — CID 69302899

IUPAC3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2cc(NC3CC3)sc2N)c1
InChIInChI=1S/C14H15N3OS/c15-13(18)9-3-1-2-8(6-9)11-7-12(19-14(11)16)17-10-4-5-10/h1-3,6-7,10,17H,4-5,16H2,(H2,15,18)
InChIKeyNVDSGVKEYVXZSV-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.67
Rot. Bonds4

About 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide

3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide (PubChem CID 69302899) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide
PubChem CID69302899
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2cc(NC3CC3)sc2N)c1
InChIInChI=1S/C14H15N3OS/c15-13(18)9-3-1-2-8(6-9)11-7-12(19-14(11)16)17-10-4-5-10/h1-3,6-7,10,17H,4-5,16H2,(H2,15,18)
InChIKeyNVDSGVKEYVXZSV-UHFFFAOYSA-N
XLogP2.67
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide?
The IUPAC name of 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide (CID 69302899) is 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide.
What is the SMILES notation for 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide?
The canonical SMILES for 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide is NC(=O)c1cccc(-c2cc(NC3CC3)sc2N)c1.
What is the InChIKey of 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide?
The InChIKey is NVDSGVKEYVXZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-13(18)9-3-1-2-8(6-9)11-7-12(19-14(11)16)17-10-4-5-10/h1-3,6-7,10,17H,4-5,16H2,(H2,15,18).
What are the key properties of 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide?
3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide has a molecular weight of 273.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide is sourced from PubChem (CID 69302899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).