N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide

C14H21N5O2S — CID 46994396

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C14H21N5O2S/c1-10-15-13(22-17-10)16-14(21)18-7-4-11(5-8-18)9-19-6-2-3-12(19)20/h11H,2-9H2,1H3,(H,15,16,17,21)
InChIKeyPLQKEAUONHGMRD-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.71
Rot. Bonds3

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 46994396) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID46994396
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C14H21N5O2S/c1-10-15-13(22-17-10)16-14(21)18-7-4-11(5-8-18)9-19-6-2-3-12(19)20/h11H,2-9H2,1H3,(H,15,16,17,21)
InChIKeyPLQKEAUONHGMRD-UHFFFAOYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(pyrrolidin-1-ylcarbonyl)piperidine-1-carboxamide
CID 46996800
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
N-(3-Methyl-1,2,4-thiadiazol-5-YL)piperidine-4-carboxamide
CID 91636200
4-(Fluoromethyl)-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899790
1-(1-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperidin-4-yl)-4-(fluoromethyl)pyrrolidin-2-one
CID 126899812
1-Methyl-4-[4-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carbonyl]pyrrolidin-2-one
CID 154773262
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165431873
4,4-Difluoro-1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carbonyl]piperidine
CID 165434774
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648179
1-(1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)pyrrolidin-2-one
CID 89542682
2-(3-Methyl-1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 121313988
1-[4-(5-Amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone
CID 141188013

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide (CID 46994396) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(CN3CCCC3=O)CC2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is PLQKEAUONHGMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10-15-13(22-17-10)16-14(21)18-7-4-11(5-8-18)9-19-6-2-3-12(19)20/h11H,2-9H2,1H3,(H,15,16,17,21).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46994396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).