N-(1,3-thiazol-2-ylcarbamothioyl)propanamide

C7H9N3OS2 — CID 916869

IUPACN-(1,3-thiazol-2-ylcarbamothioyl)propanamide
SMILESCCC(=O)NC(=S)Nc1nccs1
InChIInChI=1S/C7H9N3OS2/c1-2-5(11)9-6(12)10-7-8-3-4-13-7/h3-4H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyNPDGKJQQSNKIPC-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.37
Rot. Bonds2

About N-(1,3-thiazol-2-ylcarbamothioyl)propanamide

N-(1,3-thiazol-2-ylcarbamothioyl)propanamide (PubChem CID 916869) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylcarbamothioyl)propanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylcarbamothioyl)propanamide
PubChem CID916869
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC NameN-(1,3-thiazol-2-ylcarbamothioyl)propanamide
SMILESCCC(=O)NC(=S)Nc1nccs1
InChIInChI=1S/C7H9N3OS2/c1-2-5(11)9-6(12)10-7-8-3-4-13-7/h3-4H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyNPDGKJQQSNKIPC-UHFFFAOYSA-N
XLogP1.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.37
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

3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
(1S)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-ylcarbamothioyl)cyclopropane-1-carboxamide
CID 2396662
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 92527231
1-(1,3-thiazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 117060575
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
N-butan-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110693984
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylcarbamothioyl)propanamide?
The IUPAC name of N-(1,3-thiazol-2-ylcarbamothioyl)propanamide (CID 916869) is N-(1,3-thiazol-2-ylcarbamothioyl)propanamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylcarbamothioyl)propanamide?
The canonical SMILES for N-(1,3-thiazol-2-ylcarbamothioyl)propanamide is CCC(=O)NC(=S)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylcarbamothioyl)propanamide?
The InChIKey is NPDGKJQQSNKIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-2-5(11)9-6(12)10-7-8-3-4-13-7/h3-4H,2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of N-(1,3-thiazol-2-ylcarbamothioyl)propanamide?
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide has a molecular weight of 215.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylcarbamothioyl)propanamide is sourced from PubChem (CID 916869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).