2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C7H10N2OS — CID 155170561

IUPAC2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCSc1cn2c(n1)COCC2
InChIInChI=1S/C7H10N2OS/c1-11-7-4-9-2-3-10-5-6(9)8-7/h4H,2-3,5H2,1H3
InChIKeyUHMGBVAHGVXXDN-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.14
Rot. Bonds1

About 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 155170561) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID155170561
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCSc1cn2c(n1)COCC2
InChIInChI=1S/C7H10N2OS/c1-11-7-4-9-2-3-10-5-6(9)8-7/h4H,2-3,5H2,1H3
InChIKeyUHMGBVAHGVXXDN-UHFFFAOYSA-N
XLogP1.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,8H-imidazo[2,1-c][1,4]oxazine
CID 21941433
5H,6H,8H-imidazo(2,1-c)(1,4)oxazine-3-sulfonyl chloride
CID 75481516
5H,6H,8H-imidazo[2,1-c][1,4]oxazine-3-sulfonamide
CID 122199026
5H,6H,8H-imidazo[2,1-c][1,4]oxazine-3-sulfonyl fluoride
CID 165460501
2-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-methyl-4-methylsulfanylimidazole
CID 69431426
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-thiol
CID 123626390
7-methyl-3-methylsulfanyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 123686471
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-sulfonyl chloride
CID 140246309
1-ethyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium
CID 145557605
6-Ethyl-6-methylsulfanyl-5,8-dihydroimidazo[2,1-c][1,4]oxazine
CID 146338772
CID 146634269
CID 146634269
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylsulfanylmethanethiol
CID 155221808

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 155170561) is 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is CSc1cn2c(n1)COCC2.
What is the InChIKey of 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is UHMGBVAHGVXXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-11-7-4-9-2-3-10-5-6(9)8-7/h4H,2-3,5H2,1H3.
What are the key properties of 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 170.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 155170561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).