2-(1,3-thiazol-2-yl)propanediamide

C6H7N3O2S — CID 19940076

IUPAC2-(1,3-thiazol-2-yl)propanediamide
SMILESNC(=O)C(C(N)=O)c1nccs1
InChIInChI=1S/C6H7N3O2S/c7-4(10)3(5(8)11)6-9-1-2-12-6/h1-3H,(H2,7,10)(H2,8,11)
InChIKeyNAIXMFLERDGEMK-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.80
Rot. Bonds3

About 2-(1,3-thiazol-2-yl)propanediamide

2-(1,3-thiazol-2-yl)propanediamide (PubChem CID 19940076) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)propanediamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)propanediamide
PubChem CID19940076
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-(1,3-thiazol-2-yl)propanediamide
SMILESNC(=O)C(C(N)=O)c1nccs1
InChIInChI=1S/C6H7N3O2S/c7-4(10)3(5(8)11)6-9-1-2-12-6/h1-3H,(H2,7,10)(H2,8,11)
InChIKeyNAIXMFLERDGEMK-UHFFFAOYSA-N
XLogP-0.80
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Thiazol-2-yl)propanedial
CID 23459416
Potassium 2-(1,3-thiazol-2-yl)propanoate
CID 137943676
N-methyl thiazol-2-ylacetamide
CID 11073663
Thiazol-2-yl-acetamide
CID 19875792
Thiazolylacrylamide
CID 124159338
2-(5-Fluoro-1,3-thiazol-2-yl)propanamide
CID 67486570
2-(5-Fluoro-1,3-thiazol-2-yl)acetamide
CID 91149722
[[2-(1,3-Thiazol-2-yl)acetyl]amino] 2,2,2-trifluoroacetate
CID 178067216
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 62728988
2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104579242
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide
CID 130667088

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)propanediamide?
The IUPAC name of 2-(1,3-thiazol-2-yl)propanediamide (CID 19940076) is 2-(1,3-thiazol-2-yl)propanediamide.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)propanediamide?
The canonical SMILES for 2-(1,3-thiazol-2-yl)propanediamide is NC(=O)C(C(N)=O)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)propanediamide?
The InChIKey is NAIXMFLERDGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-4(10)3(5(8)11)6-9-1-2-12-6/h1-3H,(H2,7,10)(H2,8,11).
What are the key properties of 2-(1,3-thiazol-2-yl)propanediamide?
2-(1,3-thiazol-2-yl)propanediamide has a molecular weight of 185.21 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)propanediamide is sourced from PubChem (CID 19940076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).