[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone

C16H21N3O3S2 — CID 128569975

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1nc(-c2c(C)noc2C)sc1C(=O)N1CC(C)S(=O)C(C)C1
InChIInChI=1S/C16H21N3O3S2/c1-8-6-19(7-9(2)24(8)21)16(20)14-11(4)17-15(23-14)13-10(3)18-22-12(13)5/h8-9H,6-7H2,1-5H3
InChIKeySRIZYXVUEHMPKA-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.70
Rot. Bonds2

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 128569975) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID128569975
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1nc(-c2c(C)noc2C)sc1C(=O)N1CC(C)S(=O)C(C)C1
InChIInChI=1S/C16H21N3O3S2/c1-8-6-19(7-9(2)24(8)21)16(20)14-11(4)17-15(23-14)13-10(3)18-22-12(13)5/h8-9H,6-7H2,1-5H3
InChIKeySRIZYXVUEHMPKA-UHFFFAOYSA-N
XLogP2.70
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone (CID 128569975) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone is Cc1nc(-c2c(C)noc2C)sc1C(=O)N1CC(C)S(=O)C(C)C1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is SRIZYXVUEHMPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-8-6-19(7-9(2)24(8)21)16(20)14-11(4)17-15(23-14)13-10(3)18-22-12(13)5/h8-9H,6-7H2,1-5H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 367.50 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 128569975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).