4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide

C14H18ClN3OS — CID 145307637

IUPAC4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCCc1cc(Cl)c2cncn2c1N1CCS(=O)C(C)C1
InChIInChI=1S/C14H18ClN3OS/c1-3-11-6-12(15)13-7-16-9-18(13)14(11)17-4-5-20(19)10(2)8-17/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyQUUQUGNIYKUTFH-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.51
Rot. Bonds2

About 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide

4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide (PubChem CID 145307637) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide
PubChem CID145307637
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCCc1cc(Cl)c2cncn2c1N1CCS(=O)C(C)C1
InChIInChI=1S/C14H18ClN3OS/c1-3-11-6-12(15)13-7-16-9-18(13)14(11)17-4-5-20(19)10(2)8-17/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyQUUQUGNIYKUTFH-UHFFFAOYSA-N
XLogP2.51
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide (CID 145307637) is 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide is CCc1cc(Cl)c2cncn2c1N1CCS(=O)C(C)C1.
What is the InChIKey of 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide?
The InChIKey is QUUQUGNIYKUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-3-11-6-12(15)13-7-16-9-18(13)14(11)17-4-5-20(19)10(2)8-17/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide?
4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide has a molecular weight of 311.84 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 145307637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).