[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

C15H16N2O3S2 — CID 71994882

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCS(=O)CC3)s2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-20-12-4-2-11(3-5-12)14-16-10-13(21-14)15(18)17-6-8-22(19)9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyQIUHKTRUSZEEDI-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.02
Rot. Bonds3

About [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 71994882) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID71994882
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCOc1ccc(-c2ncc(C(=O)N3CCS(=O)CC3)s2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-20-12-4-2-11(3-5-12)14-16-10-13(21-14)15(18)17-6-8-22(19)9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyQIUHKTRUSZEEDI-UHFFFAOYSA-N
XLogP2.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
CID 139004966
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491471
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 55704356
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 120816382
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540953
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid
CID 124691573

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 71994882) is [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is COc1ccc(-c2ncc(C(=O)N3CCS(=O)CC3)s2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is QIUHKTRUSZEEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-20-12-4-2-11(3-5-12)14-16-10-13(21-14)15(18)17-6-8-22(19)9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone?
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 71994882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).