2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide

C6H8N2OS2 — CID 56981215

IUPAC2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
SMILESNC(=O)CSCc1nccs1
InChIInChI=1S/C6H8N2OS2/c7-5(9)3-10-4-6-8-1-2-11-6/h1-2H,3-4H2,(H2,7,9)
InChIKeyFDSHOOBVHMAUKZ-UHFFFAOYSA-N
MW188.28 g/mol
LogP0.86
Rot. Bonds4

About 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide

2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide (PubChem CID 56981215) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
PubChem CID56981215
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC Name2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
SMILESNC(=O)CSCc1nccs1
InChIInChI=1S/C6H8N2OS2/c7-5(9)3-10-4-6-8-1-2-11-6/h1-2H,3-4H2,(H2,7,9)
InChIKeyFDSHOOBVHMAUKZ-UHFFFAOYSA-N
XLogP0.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

carbamothioic S-acid;methane;2-(1,3-thiazol-2-ylmethylsulfanyl)ethylcarbamothioic S-acid
CID 88679811
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 20567731
2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride
CID 21446953
2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
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molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
CID 143737487
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
CID 107440499
1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol
CID 102562642
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
1,3-thiazol-2-amine;urea
CID 87216573
(E)-2-amino-4-(1,3-thiazol-2-yl)but-2-enoic acid
CID 104830981

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide?
The IUPAC name of 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide (CID 56981215) is 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide is NC(=O)CSCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide?
The InChIKey is FDSHOOBVHMAUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c7-5(9)3-10-4-6-8-1-2-11-6/h1-2H,3-4H2,(H2,7,9).
What are the key properties of 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide?
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide has a molecular weight of 188.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 56981215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).