N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C10H16N2O2S2 — CID 71850127

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCSCCCO
InChIInChI=1S/C10H16N2O2S2/c1-8-9(16-7-12-8)10(14)11-3-6-15-5-2-4-13/h7,13H,2-6H2,1H3,(H,11,14)
InChIKeyBDOBTNIHYNYTMJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.30
Rot. Bonds7

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71850127) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID71850127
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCSCCCO
InChIInChI=1S/C10H16N2O2S2/c1-8-9(16-7-12-8)10(14)11-3-6-15-5-2-4-13/h7,13H,2-6H2,1H3,(H,11,14)
InChIKeyBDOBTNIHYNYTMJ-UHFFFAOYSA-N
XLogP1.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 71850127) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BDOBTNIHYNYTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8-9(16-7-12-8)10(14)11-3-6-15-5-2-4-13/h7,13H,2-6H2,1H3,(H,11,14).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71850127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).