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

C15H19N3OS2 — CID 103509011

IUPAC1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)Cc2ccccn2)c(SC)c1N
InChIInChI=1S/C15H19N3OS2/c1-4-11(19)13-12(16)14(20-3)15(21-13)18(2)9-10-7-5-6-8-17-10/h5-8H,4,9,16H2,1-3H3
InChIKeyWDSVLZCWMHCKDQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.68
Rot. Bonds6

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

1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one (PubChem CID 103509011) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
PubChem CID103509011
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)Cc2ccccn2)c(SC)c1N
InChIInChI=1S/C15H19N3OS2/c1-4-11(19)13-12(16)14(20-3)15(21-13)18(2)9-10-7-5-6-8-17-10/h5-8H,4,9,16H2,1-3H3
InChIKeyWDSVLZCWMHCKDQ-UHFFFAOYSA-N
XLogP3.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509028
3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103509018
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505484
3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-N-propylthiophene-2-carboxamide
CID 103509015
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379481
1-[3-amino-4,5-bis(methylsulfanyl)thiophen-2-yl]propan-1-one
CID 103526629
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422189
3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103505469
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116670237
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
3-amino-5-[butyl(methyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420353
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one (CID 103509011) is 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(C)Cc2ccccn2)c(SC)c1N.
What is the InChIKey of 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one?
The InChIKey is WDSVLZCWMHCKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-4-11(19)13-12(16)14(20-3)15(21-13)18(2)9-10-7-5-6-8-17-10/h5-8H,4,9,16H2,1-3H3.
What are the key properties of 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one?
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one has a molecular weight of 321.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one is sourced from PubChem (CID 103509011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).