methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate

C7H11N3O2S — CID 131065153

IUPACmethyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate
SMILESCCCc1nsc(NC(=O)OC)n1
InChIInChI=1S/C7H11N3O2S/c1-3-4-5-8-6(13-10-5)9-7(11)12-2/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyQYBLQVIUAUFCMK-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.67
Rot. Bonds3

About methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate

methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate (PubChem CID 131065153) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate
PubChem CID131065153
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Namemethyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate
SMILESCCCc1nsc(NC(=O)OC)n1
InChIInChI=1S/C7H11N3O2S/c1-3-4-5-8-6(13-10-5)9-7(11)12-2/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyQYBLQVIUAUFCMK-UHFFFAOYSA-N
XLogP1.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate?
The IUPAC name of methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate (CID 131065153) is methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate?
The canonical SMILES for methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate is CCCc1nsc(NC(=O)OC)n1.
What is the InChIKey of methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate?
The InChIKey is QYBLQVIUAUFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-4-5-8-6(13-10-5)9-7(11)12-2/h3-4H2,1-2H3,(H,8,9,10,11).
What are the key properties of methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate?
methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate has a molecular weight of 201.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-propyl-1,2,4-thiadiazol-5-yl)carbamate is sourced from PubChem (CID 131065153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).