5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine

C8H13N3O2S2 — CID 103360525

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H13N3O2S2/c1-6-7(9)10-14-8(6)11-2-4-15(12,13)5-3-11/h2-5H2,1H3,(H2,9,10)
InChIKeyOPHAFMDRACBKDR-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.27
Rot. Bonds1

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine

5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine (PubChem CID 103360525) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine
PubChem CID103360525
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C8H13N3O2S2/c1-6-7(9)10-14-8(6)11-2-4-15(12,13)5-3-11/h2-5H2,1H3,(H2,9,10)
InChIKeyOPHAFMDRACBKDR-UHFFFAOYSA-N
XLogP0.27
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazol-3-amine
CID 103361831
5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 131115596
5-(4-tert-butylpiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360617
4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103362422
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103365241
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
[1-(3-amino-4-methyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361986
methyl 1-(3-amino-4-methyl-1,2-thiazol-5-yl)-4-methylpyrrolidine-3-carboxylate
CID 103364475
5-(3-ethoxypiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361875
5-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361787
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 75425181
5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
CID 103381005

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine (CID 103360525) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine is Cc1c(N)nsc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine?
The InChIKey is OPHAFMDRACBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-6-7(9)10-14-8(6)11-2-4-15(12,13)5-3-11/h2-5H2,1H3,(H2,9,10).
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine?
5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine has a molecular weight of 247.34 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103360525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).