4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

C8H13N3O3S2 — CID 79670600

IUPAC4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSCC(O)CO)cs1
InChIInChI=1S/C8H13N3O3S2/c9-11-7(14)8-10-5(3-16-8)2-15-4-6(13)1-12/h3,6,12-13H,1-2,4,9H2,(H,11,14)
InChIKeyQLWNRFPGIMNWMC-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.67
Rot. Bonds6

About 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 79670600) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID79670600
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC Name4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSCC(O)CO)cs1
InChIInChI=1S/C8H13N3O3S2/c9-11-7(14)8-10-5(3-16-8)2-15-4-6(13)1-12/h3,6,12-13H,1-2,4,9H2,(H,11,14)
InChIKeyQLWNRFPGIMNWMC-UHFFFAOYSA-N
XLogP-0.67
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 79670600) is 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CSCC(O)CO)cs1.
What is the InChIKey of 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is QLWNRFPGIMNWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c9-11-7(14)8-10-5(3-16-8)2-15-4-6(13)1-12/h3,6,12-13H,1-2,4,9H2,(H,11,14).
What are the key properties of 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 263.34 g/mol, XLogP of -0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 79670600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).