1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one

C14H20N4OS — CID 103421941

IUPAC1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(N(C)Cc2nccn2C)cc1N
InChIInChI=1S/C14H20N4OS/c1-9(2)13(19)14-10(15)7-12(20-14)18(4)8-11-16-5-6-17(11)3/h5-7,9H,8,15H2,1-4H3
InChIKeyKRDRYSSFPOMPCR-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one

1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 103421941) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one
PubChem CID103421941
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1sc(N(C)Cc2nccn2C)cc1N
InChIInChI=1S/C14H20N4OS/c1-9(2)13(19)14-10(15)7-12(20-14)18(4)8-11-16-5-6-17(11)3/h5-7,9H,8,15H2,1-4H3
InChIKeyKRDRYSSFPOMPCR-UHFFFAOYSA-N
XLogP2.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

5-N,1-dimethyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66012525
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 78941099
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
4-ethyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63026381
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 138994049
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one (CID 103421941) is 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1sc(N(C)Cc2nccn2C)cc1N.
What is the InChIKey of 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is KRDRYSSFPOMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9(2)13(19)14-10(15)7-12(20-14)18(4)8-11-16-5-6-17(11)3/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one?
1-[3-amino-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 292.41 g/mol, XLogP of 2.54, 5 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-[(1-methylimidazol-2-yl)methyl]amino]thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 103421941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).