3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile

C12H15N5OS — CID 103421920

IUPAC3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile
SMILESCOc1c(N(C)Cc2nccn2C)sc(C#N)c1N
InChIInChI=1S/C12H15N5OS/c1-16-5-4-15-9(16)7-17(2)12-11(18-3)10(14)8(6-13)19-12/h4-5H,7,14H2,1-3H3
InChIKeyBDWPCNQRJXZZJB-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.58
Rot. Bonds4

About 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile

3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile (PubChem CID 103421920) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile
PubChem CID103421920
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile
SMILESCOc1c(N(C)Cc2nccn2C)sc(C#N)c1N
InChIInChI=1S/C12H15N5OS/c1-16-5-4-15-9(16)7-17(2)12-11(18-3)10(14)8(6-13)19-12/h4-5H,7,14H2,1-3H3
InChIKeyBDWPCNQRJXZZJB-UHFFFAOYSA-N
XLogP1.58
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509301
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509190
4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 55151643
2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 65344219
6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544443
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile (CID 103421920) is 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile is COc1c(N(C)Cc2nccn2C)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile?
The InChIKey is BDWPCNQRJXZZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-16-5-4-15-9(16)7-17(2)12-11(18-3)10(14)8(6-13)19-12/h4-5H,7,14H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile?
3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile has a molecular weight of 277.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile is sourced from PubChem (CID 103421920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).