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

C14H24N4OS — CID 155799761

IUPACN-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nnc(N2CCC(C(=O)NC(C)(C)C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-9(2)12-16-17-13(20-12)18-7-6-10(8-18)11(19)15-14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,19)
InChIKeyZRVBRMDQYDOENP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.40
Rot. Bonds3

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

N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155799761) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID155799761
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nnc(N2CCC(C(=O)NC(C)(C)C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-9(2)12-16-17-13(20-12)18-7-6-10(8-18)11(19)15-14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,19)
InChIKeyZRVBRMDQYDOENP-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.40
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-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 155799761) is N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CC(C)c1nnc(N2CCC(C(=O)NC(C)(C)C)C2)s1.
What is the InChIKey of N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZRVBRMDQYDOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)12-16-17-13(20-12)18-7-6-10(8-18)11(19)15-14(3,4)5/h9-10H,6-8H2,1-5H3,(H,15,19).
What are the key properties of N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155799761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).