N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide

C8H13N3O2S — CID 6852055

IUPACN-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1snnc1C
InChIInChI=1S/C8H13N3O2S/c1-3-6(4-12)9-8(13)7-5(2)10-11-14-7/h6,12H,3-4H2,1-2H3,(H,9,13)
InChIKeyPNCKLMJEYWHYCP-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.35
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 6852055) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID6852055
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1snnc1C
InChIInChI=1S/C8H13N3O2S/c1-3-6(4-12)9-8(13)7-5(2)10-11-14-7/h6,12H,3-4H2,1-2H3,(H,9,13)
InChIKeyPNCKLMJEYWHYCP-UHFFFAOYSA-N
XLogP0.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide (CID 6852055) is N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide is CCC(CO)NC(=O)c1snnc1C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is PNCKLMJEYWHYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-6(4-12)9-8(13)7-5(2)10-11-14-7/h6,12H,3-4H2,1-2H3,(H,9,13).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 6852055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).