N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine

C8H12N2O2S2 — CID 16780957

IUPACN-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C8H12N2O2S2/c1-6-4-9-8(13-6)10-7-2-3-14(11,12)5-7/h4,7H,2-3,5H2,1H3,(H,9,10)
InChIKeyLYJXPGOTNBBIGF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.05
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine

N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 16780957) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID16780957
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NC2CCS(=O)(=O)C2)s1
InChIInChI=1S/C8H12N2O2S2/c1-6-4-9-8(13-6)10-7-2-3-14(11,12)5-7/h4,7H,2-3,5H2,1H3,(H,9,10)
InChIKeyLYJXPGOTNBBIGF-UHFFFAOYSA-N
XLogP1.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine
CID 102768502
2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
CID 130816194
N-(1,1-dioxothian-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272954
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113013655
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324303
N-(1,1-dioxothiolan-3-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79518186
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine
CID 104532676
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235461
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine (CID 16780957) is N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NC2CCS(=O)(=O)C2)s1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is LYJXPGOTNBBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-6-4-9-8(13-6)10-7-2-3-14(11,12)5-7/h4,7H,2-3,5H2,1H3,(H,9,10).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine?
N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 16780957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).