(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C13H20N2O2S2 — CID 146086451

IUPAC(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C13H20N2O2S2/c1-9-10(18-12(14-9)13(2,3)4)11(16)15-5-7-19(17)8-6-15/h5-8H2,1-4H3
InChIKeyKQYKYUXTCKDQCT-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.95
Rot. Bonds1

About (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 146086451) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID146086451
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C13H20N2O2S2/c1-9-10(18-12(14-9)13(2,3)4)11(16)15-5-7-19(17)8-6-15/h5-8H2,1-4H3
InChIKeyKQYKYUXTCKDQCT-UHFFFAOYSA-N
XLogP1.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

1-[4-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 49014252
[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 49017741
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110676615
(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371482
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176258
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535775
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 49015474
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823880
(3aS,6aR)-2-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683598
aziridin-1-yl-(2-chloro-4-methyl-1,3-thiazol-5-yl)methanone
CID 130629090
N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49016384

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 146086451) is (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is Cc1nc(C(C)(C)C)sc1C(=O)N1CCS(=O)CC1.
What is the InChIKey of (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is KQYKYUXTCKDQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-9-10(18-12(14-9)13(2,3)4)11(16)15-5-7-19(17)8-6-15/h5-8H2,1-4H3.
What are the key properties of (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 300.45 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 146086451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).