N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide

C11H19N3O2S — CID 113496232

IUPACN-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCC(CCO)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C11H19N3O2S/c1-4-8(5-6-15)12-11(16)10-9(7(2)3)13-14-17-10/h7-8,15H,4-6H2,1-3H3,(H,12,16)
InChIKeyPHLQYEBDZIWFPY-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.55
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 113496232) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID113496232
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCC(CCO)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C11H19N3O2S/c1-4-8(5-6-15)12-11(16)10-9(7(2)3)13-14-17-10/h7-8,15H,4-6H2,1-3H3,(H,12,16)
InChIKeyPHLQYEBDZIWFPY-UHFFFAOYSA-N
XLogP1.55
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 113496232) is N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide is CCC(CCO)NC(=O)c1snnc1C(C)C.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is PHLQYEBDZIWFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-8(5-6-15)12-11(16)10-9(7(2)3)13-14-17-10/h7-8,15H,4-6H2,1-3H3,(H,12,16).
What are the key properties of N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 113496232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).