7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine

C16H22N4S — CID 117236308

IUPAC7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine
SMILESc1cn2cc(C3CCSCC3)nc2cc1N1CCNCC1
InChIInChI=1S/C16H22N4S/c1-6-20-12-15(13-2-9-21-10-3-13)18-16(20)11-14(1)19-7-4-17-5-8-19/h1,6,11-13,17H,2-5,7-10H2
InChIKeyDCVGAPUQKJMMEF-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.35
Rot. Bonds2

About 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine

7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine (PubChem CID 117236308) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine
PubChem CID117236308
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine
SMILESc1cn2cc(C3CCSCC3)nc2cc1N1CCNCC1
InChIInChI=1S/C16H22N4S/c1-6-20-12-15(13-2-9-21-10-3-13)18-16(20)11-14(1)19-7-4-17-5-8-19/h1,6,11-13,17H,2-5,7-10H2
InChIKeyDCVGAPUQKJMMEF-UHFFFAOYSA-N
XLogP2.35
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117236324
2-(thian-4-yl)imidazo[1,2-a]pyridin-7-amine
CID 117133650
2-(2-methylphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 117236435
1-(2-piperidin-4-ylimidazo[1,2-a]pyridin-7-yl)-1,3-diazinane-2,4-dione
CID 169002961
2-piperidin-4-ylimidazo[1,2-a]pyridin-7-amine
CID 117133660
7-piperazin-1-yl-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117236368
3-(7-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)propan-1-ol
CID 117236286
(2-piperidin-4-ylimidazo[1,2-a]pyridin-7-yl)methanamine
CID 117133609
2-[(4-methylphenyl)methyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 117236404
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
7-piperazin-1-yl-2-(thian-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117236349
6-methoxy-2-(thian-4-yl)imidazo[1,2-a]pyridine
CID 117128899

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine (CID 117236308) is 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine is c1cn2cc(C3CCSCC3)nc2cc1N1CCNCC1.
What is the InChIKey of 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is DCVGAPUQKJMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-6-20-12-15(13-2-9-21-10-3-13)18-16(20)11-14(1)19-7-4-17-5-8-19/h1,6,11-13,17H,2-5,7-10H2.
What are the key properties of 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine?
7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 302.45 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-2-(thian-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117236308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).