N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide

C6H8N2O2S2 — CID 131020021

IUPACN-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide
SMILESCC(=O)c1csc(NS(C)=O)n1
InChIInChI=1S/C6H8N2O2S2/c1-4(9)5-3-11-6(7-5)8-12(2)10/h3H,1-2H3,(H,7,8)
InChIKeyLXXJGKCESSIXPO-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.05
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide

N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide (PubChem CID 131020021) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide
PubChem CID131020021
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide
SMILESCC(=O)c1csc(NS(C)=O)n1
InChIInChI=1S/C6H8N2O2S2/c1-4(9)5-3-11-6(7-5)8-12(2)10/h3H,1-2H3,(H,7,8)
InChIKeyLXXJGKCESSIXPO-UHFFFAOYSA-N
XLogP1.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
1-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-4-yl]ethanone
CID 82290120
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542
N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833
2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570013
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide (CID 131020021) is N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide is CC(=O)c1csc(NS(C)=O)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide?
The InChIKey is LXXJGKCESSIXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-4(9)5-3-11-6(7-5)8-12(2)10/h3H,1-2H3,(H,7,8).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide?
N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide has a molecular weight of 204.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide is sourced from PubChem (CID 131020021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).