1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine

C11H18N2O2S2 — CID 54979966

IUPAC1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
SMILESCC(C)c1csc(C2(N)CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H18N2O2S2/c1-8(2)9-7-16-10(13-9)11(12)3-5-17(14,15)6-4-11/h7-8H,3-6,12H2,1-2H3
InChIKeySZODPBCWIDCCLX-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.63
Rot. Bonds2

About 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine

1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine (PubChem CID 54979966) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
PubChem CID54979966
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
SMILESCC(C)c1csc(C2(N)CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H18N2O2S2/c1-8(2)9-7-16-10(13-9)11(12)3-5-17(14,15)6-4-11/h7-8H,3-6,12H2,1-2H3
InChIKeySZODPBCWIDCCLX-UHFFFAOYSA-N
XLogP1.63
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine?
The IUPAC name of 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine (CID 54979966) is 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine is CC(C)c1csc(C2(N)CCS(=O)(=O)CC2)n1.
What is the InChIKey of 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine?
The InChIKey is SZODPBCWIDCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8(2)9-7-16-10(13-9)11(12)3-5-17(14,15)6-4-11/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine?
1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine has a molecular weight of 274.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine is sourced from PubChem (CID 54979966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).