3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide

C13H15N3OS — CID 66385546

IUPAC3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
SMILESCc1c(NCc2sccc2N)cccc1C(N)=O
InChIInChI=1S/C13H15N3OS/c1-8-9(13(15)17)3-2-4-11(8)16-7-12-10(14)5-6-18-12/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyDHHXMRDFLRECNJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.35
Rot. Bonds4

About 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide

3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide (PubChem CID 66385546) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
PubChem CID66385546
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide
SMILESCc1c(NCc2sccc2N)cccc1C(N)=O
InChIInChI=1S/C13H15N3OS/c1-8-9(13(15)17)3-2-4-11(8)16-7-12-10(14)5-6-18-12/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyDHHXMRDFLRECNJ-UHFFFAOYSA-N
XLogP2.35
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
CID 66387532
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
3-(3,3-dimethylbutylamino)-2-methylbenzamide
CID 62952099
3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide?
The IUPAC name of 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide (CID 66385546) is 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide?
The canonical SMILES for 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide is Cc1c(NCc2sccc2N)cccc1C(N)=O.
What is the InChIKey of 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide?
The InChIKey is DHHXMRDFLRECNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-9(13(15)17)3-2-4-11(8)16-7-12-10(14)5-6-18-12/h2-6,16H,7,14H2,1H3,(H2,15,17).
What are the key properties of 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide?
3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminothiophen-2-yl)methylamino]-2-methylbenzamide is sourced from PubChem (CID 66385546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).