4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine

C13H16N4S2 — CID 114722084

IUPAC4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2CC2CSCCS2)ccn1
InChIInChI=1S/C13H16N4S2/c14-13-5-10(1-2-16-13)12-6-15-9-17(12)7-11-8-18-3-4-19-11/h1-2,5-6,9,11H,3-4,7-8H2,(H2,14,16)
InChIKeyMXVGVNFJHJEAFX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.38
Rot. Bonds3

About 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine

4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114722084) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114722084
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2CC2CSCCS2)ccn1
InChIInChI=1S/C13H16N4S2/c14-13-5-10(1-2-16-13)12-6-15-9-17(12)7-11-8-18-3-4-19-11/h1-2,5-6,9,11H,3-4,7-8H2,(H2,14,16)
InChIKeyMXVGVNFJHJEAFX-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114715991
4-[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 107421498
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
CID 114722613
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720701
2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N-cyclopropylacetamide
CID 114718057
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
4-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720118

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine (CID 114722084) is 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine is Nc1cc(-c2cncn2CC2CSCCS2)ccn1.
What is the InChIKey of 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is MXVGVNFJHJEAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c14-13-5-10(1-2-16-13)12-6-15-9-17(12)7-11-8-18-3-4-19-11/h1-2,5-6,9,11H,3-4,7-8H2,(H2,14,16).
What are the key properties of 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,4-dithian-2-ylmethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114722084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).