4,5-diamino-3H-1,3-thiazol-2-one

C3H5N3OS — CID 67278795

IUPAC4,5-diamino-3H-1,3-thiazol-2-one
SMILESNc1[nH]c(=O)sc1N
InChIInChI=1S/C3H5N3OS/c4-1-2(5)8-3(7)6-1/h4-5H2,(H,6,7)
InChIKeyMADPVGDBYIBTPH-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.40
Rot. Bonds

About 4,5-diamino-3H-1,3-thiazol-2-one

4,5-diamino-3H-1,3-thiazol-2-one (PubChem CID 67278795) has the molecular formula C3H5N3OS and a molecular weight of 131.16 g/mol. Its IUPAC name is 4,5-diamino-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-diamino-3H-1,3-thiazol-2-one
PubChem CID67278795
Molecular FormulaC3H5N3OS
Molecular Weight131.16 g/mol
Exact Mass131.02
IUPAC Name4,5-diamino-3H-1,3-thiazol-2-one
SMILESNc1[nH]c(=O)sc1N
InChIInChI=1S/C3H5N3OS/c4-1-2(5)8-3(7)6-1/h4-5H2,(H,6,7)
InChIKeyMADPVGDBYIBTPH-UHFFFAOYSA-N
XLogP-0.40
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-3H-1,3-thiazol-2-one?
The IUPAC name of 4,5-diamino-3H-1,3-thiazol-2-one (CID 67278795) is 4,5-diamino-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-diamino-3H-1,3-thiazol-2-one?
The canonical SMILES for 4,5-diamino-3H-1,3-thiazol-2-one is Nc1[nH]c(=O)sc1N.
What is the InChIKey of 4,5-diamino-3H-1,3-thiazol-2-one?
The InChIKey is MADPVGDBYIBTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3OS/c4-1-2(5)8-3(7)6-1/h4-5H2,(H,6,7).
What are the key properties of 4,5-diamino-3H-1,3-thiazol-2-one?
4,5-diamino-3H-1,3-thiazol-2-one has a molecular weight of 131.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-3H-1,3-thiazol-2-one is sourced from PubChem (CID 67278795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).