N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine

C15H23N3S — CID 80729960

IUPACN-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCc1ncn(Cc2cc(CNC(C)C)sc2C)c1C
InChIInChI=1S/C15H23N3S/c1-10(2)16-7-15-6-14(13(5)19-15)8-18-9-17-11(3)12(18)4/h6,9-10,16H,7-8H2,1-5H3
InChIKeyCJJPBKPKKNLKQV-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine

N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine (PubChem CID 80729960) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
PubChem CID80729960
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCc1ncn(Cc2cc(CNC(C)C)sc2C)c1C
InChIInChI=1S/C15H23N3S/c1-10(2)16-7-15-6-14(13(5)19-15)8-18-9-17-11(3)12(18)4/h6,9-10,16H,7-8H2,1-5H3
InChIKeyCJJPBKPKKNLKQV-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine (CID 80729960) is N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine is Cc1ncn(Cc2cc(CNC(C)C)sc2C)c1C.
What is the InChIKey of N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The InChIKey is CJJPBKPKKNLKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10(2)16-7-15-6-14(13(5)19-15)8-18-9-17-11(3)12(18)4/h6,9-10,16H,7-8H2,1-5H3.
What are the key properties of N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine has a molecular weight of 277.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80729960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).