N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide

C7H11N3O2S2 — CID 146618326

IUPACN-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide
SMILESCCc1ncc(S(N)(=O)=NC(C)=O)s1
InChIInChI=1S/C7H11N3O2S2/c1-3-6-9-4-7(13-6)14(8,12)10-5(2)11/h4H,3H2,1-2H3,(H2,8,10,11,12)
InChIKeySFBSSBDHNOJTJV-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.95
Rot. Bonds2

About N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide

N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide (PubChem CID 146618326) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound NameN-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide
PubChem CID146618326
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC NameN-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide
SMILESCCc1ncc(S(N)(=O)=NC(C)=O)s1
InChIInChI=1S/C7H11N3O2S2/c1-3-6-9-4-7(13-6)14(8,12)10-5(2)11/h4H,3H2,1-2H3,(H2,8,10,11,12)
InChIKeySFBSSBDHNOJTJV-UHFFFAOYSA-N
XLogP0.95
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1,3-thiazole-5-sulfonamide
CID 86037919
4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid
CID 122068892
N-acetylethanesulfonimidic acid
CID 54157911
1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone
CID 146618917
N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-methyl-oxo-λ6-sulfanylidene]acetamide
CID 146611533
4-[[(2-ethyl-1,3-thiazol-5-yl)methylamino]methyl]benzenesulfonamide
CID 60982357
N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-(4-fluoro-2,6-dipropylphenyl)acetamide
CID 137459047
2-ethyl-1,3-thiazole-5-carbothioamide
CID 82514753
acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol
CID 174888616
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
(E)-3-(2-ethyl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 82514719
2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 128852399

Frequently Asked Questions

What is the IUPAC name of N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide (CID 146618326) is N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide is CCc1ncc(S(N)(=O)=NC(C)=O)s1.
What is the InChIKey of N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is SFBSSBDHNOJTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-3-6-9-4-7(13-6)14(8,12)10-5(2)11/h4H,3H2,1-2H3,(H2,8,10,11,12).
What are the key properties of N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide?
N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 233.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 146618326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).