1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one

C14H17N3OS — CID 103509289

IUPAC1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)Cc2ccncc2)cc1N
InChIInChI=1S/C14H17N3OS/c1-3-12(18)14-11(15)8-13(19-14)17(2)9-10-4-6-16-7-5-10/h4-8H,3,9,15H2,1-2H3
InChIKeySMLYBFSIAYYXCB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one

1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one (PubChem CID 103509289) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one
PubChem CID103509289
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)Cc2ccncc2)cc1N
InChIInChI=1S/C14H17N3OS/c1-3-12(18)14-11(15)8-13(19-14)17(2)9-10-4-6-16-7-5-10/h4-8H,3,9,15H2,1-2H3
InChIKeySMLYBFSIAYYXCB-UHFFFAOYSA-N
XLogP2.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
CID 103509283
3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420709
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317
1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
CID 103419253
1-[3-amino-5-[benzyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103420298
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
CID 82907539
2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide
CID 75374046
methyl 5-amino-3-chloro-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 107194225
2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55115723
methyl 3-amino-2-[methyl(pyridin-4-ylmethyl)amino]benzoate
CID 115934191

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one (CID 103509289) is 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(C)Cc2ccncc2)cc1N.
What is the InChIKey of 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one?
The InChIKey is SMLYBFSIAYYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-12(18)14-11(15)8-13(19-14)17(2)9-10-4-6-16-7-5-10/h4-8H,3,9,15H2,1-2H3.
What are the key properties of 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one?
1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one has a molecular weight of 275.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103509289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).