1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one

C14H23N3O2S — CID 103420620

IUPAC1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N2CCCN(C)CC2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S/c1-4-10(18)13-11(15)12(19-3)14(20-13)17-7-5-6-16(2)8-9-17/h4-9,15H2,1-3H3
InChIKeyCNOZGCGAYVMUAK-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds4

About 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one

1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one (PubChem CID 103420620) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
PubChem CID103420620
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N2CCCN(C)CC2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S/c1-4-10(18)13-11(15)12(19-3)14(20-13)17-7-5-6-16(2)8-9-17/h4-9,15H2,1-3H3
InChIKeyCNOZGCGAYVMUAK-UHFFFAOYSA-N
XLogP2.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419320
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419843
1-[3-amino-5-(1,4-diazepan-1-yl)-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103524860
ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-N-ethyl-4-methoxy-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421810
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one (CID 103420620) is 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one is CCC(=O)c1sc(N2CCCN(C)CC2)c(OC)c1N.
What is the InChIKey of 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one?
The InChIKey is CNOZGCGAYVMUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-10(18)13-11(15)12(19-3)14(20-13)17-7-5-6-16(2)8-9-17/h4-9,15H2,1-3H3.
What are the key properties of 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one?
1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one has a molecular weight of 297.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103420620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).