3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide

C7H9N3OS2 — CID 43120468

IUPAC3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
SMILESCc1csc(NC(=O)CC(N)=S)n1
InChIInChI=1S/C7H9N3OS2/c1-4-3-13-7(9-4)10-6(11)2-5(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeySVCVIGFVGAJSCC-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.07
Rot. Bonds3

About 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide

3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide (PubChem CID 43120468) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
PubChem CID43120468
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
SMILESCc1csc(NC(=O)CC(N)=S)n1
InChIInChI=1S/C7H9N3OS2/c1-4-3-13-7(9-4)10-6(11)2-5(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeySVCVIGFVGAJSCC-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 134064721
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 47124647
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
2-(2-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361677
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 71946726
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66224014

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide (CID 43120468) is 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide is Cc1csc(NC(=O)CC(N)=S)n1.
What is the InChIKey of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide?
The InChIKey is SVCVIGFVGAJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-4-3-13-7(9-4)10-6(11)2-5(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,10,11).
What are the key properties of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide?
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide has a molecular weight of 215.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 43120468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).