N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide

C8H13N3O2S — CID 71683377

IUPACN-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(CCCO)NC(=O)c1cnsn1
InChIInChI=1S/C8H13N3O2S/c1-6(3-2-4-12)10-8(13)7-5-9-14-11-7/h5-6,12H,2-4H2,1H3,(H,10,13)
InChIKeyVSPINQSNXKQBSM-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.43
Rot. Bonds5

About N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide

N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 71683377) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID71683377
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(CCCO)NC(=O)c1cnsn1
InChIInChI=1S/C8H13N3O2S/c1-6(3-2-4-12)10-8(13)7-5-9-14-11-7/h5-6,12H,2-4H2,1H3,(H,10,13)
InChIKeyVSPINQSNXKQBSM-UHFFFAOYSA-N
XLogP0.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide (CID 71683377) is N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide is CC(CCCO)NC(=O)c1cnsn1.
What is the InChIKey of N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is VSPINQSNXKQBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(3-2-4-12)10-8(13)7-5-9-14-11-7/h5-6,12H,2-4H2,1H3,(H,10,13).
What are the key properties of N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentan-2-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 71683377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).