N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide

C10H17N3O2S2 — CID 156531687

IUPACN-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide
SMILESCc1csc(S(N)(=O)=NC(=O)CCC(C)C)n1
InChIInChI=1S/C10H17N3O2S2/c1-7(2)4-5-9(14)13-17(11,15)10-12-8(3)6-16-10/h6-7H,4-5H2,1-3H3,(H2,11,13,14,15)
InChIKeyJZAZOEMTPWGYOY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.11
Rot. Bonds4

About N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide

N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide (PubChem CID 156531687) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide.

Molecular Properties

Compound NameN-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide
PubChem CID156531687
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide
SMILESCc1csc(S(N)(=O)=NC(=O)CCC(C)C)n1
InChIInChI=1S/C10H17N3O2S2/c1-7(2)4-5-9(14)13-17(11,15)10-12-8(3)6-16-10/h6-7H,4-5H2,1-3H3,(H2,11,13,14,15)
InChIKeyJZAZOEMTPWGYOY-UHFFFAOYSA-N
XLogP2.11
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide?
The IUPAC name of N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide (CID 156531687) is N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide.
What is the SMILES notation for N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide?
The canonical SMILES for N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide is Cc1csc(S(N)(=O)=NC(=O)CCC(C)C)n1.
What is the InChIKey of N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide?
The InChIKey is JZAZOEMTPWGYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7(2)4-5-9(14)13-17(11,15)10-12-8(3)6-16-10/h6-7H,4-5H2,1-3H3,(H2,11,13,14,15).
What are the key properties of N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide?
N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide has a molecular weight of 275.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-methyl-1,3-thiazol-2-yl)-oxo-λ6-sulfanylidene]-4-methylpentanamide is sourced from PubChem (CID 156531687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).