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

C7H11N3O2S — CID 43522590

IUPACN-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1cnsn1
InChIInChI=1S/C7H11N3O2S/c1-2-5(4-11)9-7(12)6-3-8-13-10-6/h3,5,11H,2,4H2,1H3,(H,9,12)
InChIKeyDQSKEHDDBAMMPB-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.04
Rot. Bonds4

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

N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 43522590) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID43522590
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1cnsn1
InChIInChI=1S/C7H11N3O2S/c1-2-5(4-11)9-7(12)6-3-8-13-10-6/h3,5,11H,2,4H2,1H3,(H,9,12)
InChIKeyDQSKEHDDBAMMPB-UHFFFAOYSA-N
XLogP0.04
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.04
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)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide (CID 43522590) is N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide is CCC(CO)NC(=O)c1cnsn1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is DQSKEHDDBAMMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-2-5(4-11)9-7(12)6-3-8-13-10-6/h3,5,11H,2,4H2,1H3,(H,9,12).
What are the key properties of N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(1-hydroxybutan-2-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.04, 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)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 43522590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).