N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C17H23N5O2S — CID 128858700

IUPACN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)Nc3nc4c(s3)CCC4(C)C)CC2)n1
InChIInChI=1S/C17H23N5O2S/c1-10-18-14(24-21-10)11-5-8-22(9-6-11)16(23)20-15-19-13-12(25-15)4-7-17(13,2)3/h11H,4-9H2,1-3H3,(H,19,20,23)
InChIKeyHXXDSUFJGGETLK-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.47
Rot. Bonds2

About N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 128858700) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID128858700
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1noc(C2CCN(C(=O)Nc3nc4c(s3)CCC4(C)C)CC2)n1
InChIInChI=1S/C17H23N5O2S/c1-10-18-14(24-21-10)11-5-8-22(9-6-11)16(23)20-15-19-13-12(25-15)4-7-17(13,2)3/h11H,4-9H2,1-3H3,(H,19,20,23)
InChIKeyHXXDSUFJGGETLK-UHFFFAOYSA-N
XLogP3.47
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 128858700) is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1noc(C2CCN(C(=O)Nc3nc4c(s3)CCC4(C)C)CC2)n1.
What is the InChIKey of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is HXXDSUFJGGETLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-10-18-14(24-21-10)11-5-8-22(9-6-11)16(23)20-15-19-13-12(25-15)4-7-17(13,2)3/h11H,4-9H2,1-3H3,(H,19,20,23).
What are the key properties of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128858700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).