N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide

C7H9N3OS2 — CID 61126703

IUPACN-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(N)=S
InChIInChI=1S/C7H9N3OS2/c1-4-6(13-3-10-4)7(11)9-2-5(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,11)
InChIKeyUTVHWQQUBOQTGO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.47
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 61126703) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID61126703
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(N)=S
InChIInChI=1S/C7H9N3OS2/c1-4-6(13-3-10-4)7(11)9-2-5(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,11)
InChIKeyUTVHWQQUBOQTGO-UHFFFAOYSA-N
XLogP0.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 61126703) is N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UTVHWQQUBOQTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-4-6(13-3-10-4)7(11)9-2-5(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,11).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 215.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 61126703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).