N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide

C8H12N2O2S — CID 107168303

IUPACN-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCCO)c1cncs1
InChIInChI=1S/C8H12N2O2S/c11-4-2-1-3-10-8(12)7-5-9-6-13-7/h5-6,11H,1-4H2,(H,10,12)
InChIKeyLOQNCWFPCXLXIU-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.65
Rot. Bonds5

About N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide

N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide (PubChem CID 107168303) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
PubChem CID107168303
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCCO)c1cncs1
InChIInChI=1S/C8H12N2O2S/c11-4-2-1-3-10-8(12)7-5-9-6-13-7/h5-6,11H,1-4H2,(H,10,12)
InChIKeyLOQNCWFPCXLXIU-UHFFFAOYSA-N
XLogP0.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide (CID 107168303) is N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide is O=C(NCCCCO)c1cncs1.
What is the InChIKey of N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LOQNCWFPCXLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-4-2-1-3-10-8(12)7-5-9-6-13-7/h5-6,11H,1-4H2,(H,10,12).
What are the key properties of N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide?
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107168303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).