N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide

C12H20N4OS — CID 155799740

IUPACN-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nsc(N2CCC(C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-8-13-11(18-15-8)16-6-5-9(7-16)10(17)14-12(2,3)4/h9H,5-7H2,1-4H3,(H,14,17)
InChIKeySDJDIXFQMVIZKK-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.59
Rot. Bonds2

About N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide

N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 155799740) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID155799740
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nsc(N2CCC(C(=O)NC(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4OS/c1-8-13-11(18-15-8)16-6-5-9(7-16)10(17)14-12(2,3)4/h9H,5-7H2,1-4H3,(H,14,17)
InChIKeySDJDIXFQMVIZKK-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (CID 155799740) is N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is Cc1nsc(N2CCC(C(=O)NC(C)(C)C)C2)n1.
What is the InChIKey of N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is SDJDIXFQMVIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-13-11(18-15-8)16-6-5-9(7-16)10(17)14-12(2,3)4/h9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155799740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).