N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H17N3O2S2 — CID 81040335

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C10H17N3O2S2/c1-7(2)9-12-10(16-13-9)11-6-8-4-3-5-17(8,14)15/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUSYHMOYBFOZQSM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.65
Rot. Bonds4

About N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 81040335) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID81040335
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C10H17N3O2S2/c1-7(2)9-12-10(16-13-9)11-6-8-4-3-5-17(8,14)15/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyUSYHMOYBFOZQSM-UHFFFAOYSA-N
XLogP1.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,1-dioxothiolan-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 81046838
3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
CID 66005694
methyl 2-[(1,1-dioxothiolan-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 81046617
N-[(1,1-dioxothiolan-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448757
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
6-chloro-2-N-[(1,1-dioxothiolan-2-yl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 81047139
N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273820
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115363627
N-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 81046988
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115975281
2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 65270509

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 81040335) is N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCC2CCCS2(=O)=O)n1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is USYHMOYBFOZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7(2)9-12-10(16-13-9)11-6-8-4-3-5-17(8,14)15/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 275.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 81040335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).