N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide

C9H14N2O3S2 — CID 60528439

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)CC(=O)/N=c1\sccn1C
InChIInChI=1S/C9H14N2O3S2/c1-7(2)16(13,14)6-8(12)10-9-11(3)4-5-15-9/h4-5,7H,6H2,1-3H3/b10-9-
InChIKeyZTMSNVKPAQENKT-KTKRTIGZSA-N
MW262.36 g/mol
LogP0.34
Rot. Bonds3

About N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide

N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide (PubChem CID 60528439) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide
PubChem CID60528439
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)CC(=O)/N=c1\sccn1C
InChIInChI=1S/C9H14N2O3S2/c1-7(2)16(13,14)6-8(12)10-9-11(3)4-5-15-9/h4-5,7H,6H2,1-3H3/b10-9-
InChIKeyZTMSNVKPAQENKT-KTKRTIGZSA-N
XLogP0.34
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide (CID 60528439) is N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide is CC(C)S(=O)(=O)CC(=O)/N=c1\sccn1C.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide?
The InChIKey is ZTMSNVKPAQENKT-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-7(2)16(13,14)6-8(12)10-9-11(3)4-5-15-9/h4-5,7H,6H2,1-3H3/b10-9-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide has a molecular weight of 262.36 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 60528439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).