4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

C10H16N2OS2 — CID 106379983

IUPAC4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1SCCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2OS2/c1-7-9(3-2-4-14-7)11-5-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeyCIHVIZADNYYOCU-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.81
Rot. Bonds3

About 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379983) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379983
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1SCCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2OS2/c1-7-9(3-2-4-14-7)11-5-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13)
InChIKeyCIHVIZADNYYOCU-UHFFFAOYSA-N
XLogP1.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379983) is 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC1SCCCC1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CIHVIZADNYYOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-7-9(3-2-4-14-7)11-5-8-6-15-10(13)12-8/h6-7,9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 244.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).