N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide

C15H19N5O2S — CID 97008719

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)no1
InChIInChI=1S/C15H19N5O2S/c1-9-16-14(19-22-9)11-5-3-7-20(11)8-13(21)18-15-17-10-4-2-6-12(10)23-15/h11H,2-8H2,1H3,(H,17,18,21)/t11-/m0/s1
InChIKeyLTTVDNLWVXSUAD-NSHDSACASA-N
MW333.42 g/mol
LogP2.10
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 97008719) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID97008719
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)no1
InChIInChI=1S/C15H19N5O2S/c1-9-16-14(19-22-9)11-5-3-7-20(11)8-13(21)18-15-17-10-4-2-6-12(10)23-15/h11H,2-8H2,1H3,(H,17,18,21)/t11-/m0/s1
InChIKeyLTTVDNLWVXSUAD-NSHDSACASA-N
XLogP2.10
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide (CID 97008719) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide is Cc1nc([C@@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)no1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is LTTVDNLWVXSUAD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-9-16-14(19-22-9)11-5-3-7-20(11)8-13(21)18-15-17-10-4-2-6-12(10)23-15/h11H,2-8H2,1H3,(H,17,18,21)/t11-/m0/s1.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97008719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).