N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide

C11H20N4O2S — CID 113430435

IUPACN-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(O)CNCCNC(=O)c1snnc1C(C)C
InChIInChI=1S/C11H20N4O2S/c1-7(2)9-10(18-15-14-9)11(17)13-5-4-12-6-8(3)16/h7-8,12,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyRZWXFRRIZQYUGQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.36
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 113430435) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID113430435
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(O)CNCCNC(=O)c1snnc1C(C)C
InChIInChI=1S/C11H20N4O2S/c1-7(2)9-10(18-15-14-9)11(17)13-5-4-12-6-8(3)16/h7-8,12,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyRZWXFRRIZQYUGQ-UHFFFAOYSA-N
XLogP0.36
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 113430435) is N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(O)CNCCNC(=O)c1snnc1C(C)C.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is RZWXFRRIZQYUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-7(2)9-10(18-15-14-9)11(17)13-5-4-12-6-8(3)16/h7-8,12,16H,4-6H2,1-3H3,(H,13,17).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 113430435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).