N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine

C12H15N3S2 — CID 102625824

IUPACN-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine
SMILESc1cc(NCC2CSCCS2)n2ccnc2c1
InChIInChI=1S/C12H15N3S2/c1-2-11-13-4-5-15(11)12(3-1)14-8-10-9-16-6-7-17-10/h1-5,10,14H,6-9H2
InChIKeyBEVOMHMPIYKMRF-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.59
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine

N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine (PubChem CID 102625824) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine
PubChem CID102625824
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC NameN-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine
SMILESc1cc(NCC2CSCCS2)n2ccnc2c1
InChIInChI=1S/C12H15N3S2/c1-2-11-13-4-5-15(11)12(3-1)14-8-10-9-16-6-7-17-10/h1-5,10,14H,6-9H2
InChIKeyBEVOMHMPIYKMRF-UHFFFAOYSA-N
XLogP2.59
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115685335
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
N-[(2-chlorocyclopentyl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 102627070
N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-a]pyridin-5-amine
CID 102625857
N-butylimidazo[1,2-a]pyridin-5-amine
CID 102625326
2-(imidazo[1,2-a]pyridin-5-ylamino)acetic acid
CID 162696041
2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116797435
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
CID 133368861
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201
N-cyclooctylimidazo[1,2-a]pyridin-5-amine
CID 102625331
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine (CID 102625824) is N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine is c1cc(NCC2CSCCS2)n2ccnc2c1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
The InChIKey is BEVOMHMPIYKMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-11-13-4-5-15(11)12(3-1)14-8-10-9-16-6-7-17-10/h1-5,10,14H,6-9H2.
What are the key properties of N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine?
N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine has a molecular weight of 265.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 102625824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).