5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile

C7H9N3O2S — CID 130666699

IUPAC5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile
SMILESCC(O)CNc1s[nH]c(=O)c1C#N
InChIInChI=1S/C7H9N3O2S/c1-4(11)3-9-7-5(2-8)6(12)10-13-7/h4,9,11H,3H2,1H3,(H,10,12)
InChIKeySDYPPLSQGHVAIO-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.10
Rot. Bonds3

About 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile

5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile (PubChem CID 130666699) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile
PubChem CID130666699
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile
SMILESCC(O)CNc1s[nH]c(=O)c1C#N
InChIInChI=1S/C7H9N3O2S/c1-4(11)3-9-7-5(2-8)6(12)10-13-7/h4,9,11H,3H2,1H3,(H,10,12)
InChIKeySDYPPLSQGHVAIO-UHFFFAOYSA-N
XLogP0.10
TPSA88.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile (CID 130666699) is 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile is CC(O)CNc1s[nH]c(=O)c1C#N.
What is the InChIKey of 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
The InChIKey is SDYPPLSQGHVAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4(11)3-9-7-5(2-8)6(12)10-13-7/h4,9,11H,3H2,1H3,(H,10,12).
What are the key properties of 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile?
5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile has a molecular weight of 199.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropylamino)-3-oxo-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 130666699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).