(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine

C17H25N5OS — CID 97067026

IUPAC(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCc1nc(C)c(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)o3)C2)s1
InChIInChI=1S/C17H25N5OS/c1-11-15(24-12(2)18-11)9-22-7-6-14(8-22)21(3)10-16-19-20-17(23-16)13-4-5-13/h13-14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyIMBSTDDXSKPXNJ-CQSZACIVSA-N
MW347.49 g/mol
LogP2.73
Rot. Bonds6

About (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine

(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 97067026) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID97067026
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCc1nc(C)c(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)o3)C2)s1
InChIInChI=1S/C17H25N5OS/c1-11-15(24-12(2)18-11)9-22-7-6-14(8-22)21(3)10-16-19-20-17(23-16)13-4-5-13/h13-14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyIMBSTDDXSKPXNJ-CQSZACIVSA-N
XLogP2.73
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine (CID 97067026) is (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine is Cc1nc(C)c(CN2CC[C@@H](N(C)Cc3nnc(C4CC4)o3)C2)s1.
What is the InChIKey of (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is IMBSTDDXSKPXNJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11-15(24-12(2)18-11)9-22-7-6-14(8-22)21(3)10-16-19-20-17(23-16)13-4-5-13/h13-14H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine?
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 347.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 97067026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).