N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

C19H21N5O3S — CID 20892941

IUPACN-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)c1
InChIInChI=1S/C19H21N5O3S/c1-12-10-16(25)24-18(20-12)28-19(22-24)23-8-6-13(7-9-23)17(26)21-14-4-3-5-15(11-14)27-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,21,26)
InChIKeyMMXGWNKRRSUNLH-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.32
Rot. Bonds4

About N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 20892941) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID20892941
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)c1
InChIInChI=1S/C19H21N5O3S/c1-12-10-16(25)24-18(20-12)28-19(22-24)23-8-6-13(7-9-23)17(26)21-14-4-3-5-15(11-14)27-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,21,26)
InChIKeyMMXGWNKRRSUNLH-UHFFFAOYSA-N
XLogP2.32
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 20892941) is N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is MMXGWNKRRSUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-12-10-16(25)24-18(20-12)28-19(22-24)23-8-6-13(7-9-23)17(26)21-14-4-3-5-15(11-14)27-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,21,26).
What are the key properties of N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20892941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).