N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine

C15H18N4S — CID 81143617

IUPACN-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccsc2c1)c1nccn1C
InChIInChI=1S/C15H18N4S/c1-3-5-16-14(15-17-6-7-19(15)2)11-9-13-12(18-10-11)4-8-20-13/h4,6-10,14,16H,3,5H2,1-2H3
InChIKeySHKGWSVUPFYCHO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.12
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine

N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine (PubChem CID 81143617) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
PubChem CID81143617
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccsc2c1)c1nccn1C
InChIInChI=1S/C15H18N4S/c1-3-5-16-14(15-17-6-7-19(15)2)11-9-13-12(18-10-11)4-8-20-13/h4,6-10,14,16H,3,5H2,1-2H3
InChIKeySHKGWSVUPFYCHO-UHFFFAOYSA-N
XLogP3.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144346
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81153035
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 81124888
N-[(5-methylthiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81143320
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316328
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
4,4,4-trifluoro-N-propyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143135

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine (CID 81143617) is N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine is CCCNC(c1cnc2ccsc2c1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
The InChIKey is SHKGWSVUPFYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-5-16-14(15-17-6-7-19(15)2)11-9-13-12(18-10-11)4-8-20-13/h4,6-10,14,16H,3,5H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine?
N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine is sourced from PubChem (CID 81143617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).