4-(2-amino-1,3-thiazol-5-yl)but-3-enamide

C7H9N3OS — CID 170797289

IUPAC4-(2-amino-1,3-thiazol-5-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cnc(N)s1
InChIInChI=1S/C7H9N3OS/c8-6(11)3-1-2-5-4-10-7(9)12-5/h1-2,4H,3H2,(H2,8,11)(H2,9,10)
InChIKeyRUZWTAIVMXFUPZ-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.61
Rot. Bonds3

About 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide

4-(2-amino-1,3-thiazol-5-yl)but-3-enamide (PubChem CID 170797289) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-5-yl)but-3-enamide
PubChem CID170797289
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name4-(2-amino-1,3-thiazol-5-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cnc(N)s1
InChIInChI=1S/C7H9N3OS/c8-6(11)3-1-2-5-4-10-7(9)12-5/h1-2,4H,3H2,(H2,8,11)(H2,9,10)
InChIKeyRUZWTAIVMXFUPZ-UHFFFAOYSA-N
XLogP0.61
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide (CID 170797289) is 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide is NC(=O)CC=Cc1cnc(N)s1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide?
The InChIKey is RUZWTAIVMXFUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c8-6(11)3-1-2-5-4-10-7(9)12-5/h1-2,4H,3H2,(H2,8,11)(H2,9,10).
What are the key properties of 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide?
4-(2-amino-1,3-thiazol-5-yl)but-3-enamide has a molecular weight of 183.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-5-yl)but-3-enamide is sourced from PubChem (CID 170797289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).