1-oxo-4,5-dihydro-1,3-thiazol-2-amine

C3H6N2OS — CID 18464079

IUPAC1-oxo-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCCS1=O
InChIInChI=1S/C3H6N2OS/c4-3-5-1-2-7(3)6/h1-2H2,(H2,4,5)
InChIKeyYPSWLVPWXIPSGW-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.94
Rot. Bonds

About 1-oxo-4,5-dihydro-1,3-thiazol-2-amine

1-oxo-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 18464079) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is 1-oxo-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name1-oxo-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID18464079
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC Name1-oxo-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCCS1=O
InChIInChI=1S/C3H6N2OS/c4-3-5-1-2-7(3)6/h1-2H2,(H2,4,5)
InChIKeyYPSWLVPWXIPSGW-UHFFFAOYSA-N
XLogP-0.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 1-oxo-4,5-dihydro-1,3-thiazol-2-amine (CID 18464079) is 1-oxo-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 1-oxo-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 1-oxo-4,5-dihydro-1,3-thiazol-2-amine is NC1=NCCS1=O.
What is the InChIKey of 1-oxo-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YPSWLVPWXIPSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2OS/c4-3-5-1-2-7(3)6/h1-2H2,(H2,4,5).
What are the key properties of 1-oxo-4,5-dihydro-1,3-thiazol-2-amine?
1-oxo-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 118.16 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 18464079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).