N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide

C15H16N4O2S — CID 121122169

IUPACN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H16N4O2S/c1-9-12(8-17-14(21)11-4-5-13(20)19-11)22-15(18-9)10-3-2-6-16-7-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyDOFCNGHFUAXNPI-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.41
Rot. Bonds4

About N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121122169) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121122169
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(-c2cccnc2)sc1CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H16N4O2S/c1-9-12(8-17-14(21)11-4-5-13(20)19-11)22-15(18-9)10-3-2-6-16-7-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyDOFCNGHFUAXNPI-UHFFFAOYSA-N
XLogP1.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 97040611
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-1H-indole-6-carboxamide
CID 121122278
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-3-phenylsulfanylpropanamide
CID 121122040
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122325
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-4-sulfamoylbenzamide
CID 121122034
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
2-ethylsulfanyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122233

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 121122169) is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1nc(-c2cccnc2)sc1CNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DOFCNGHFUAXNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-12(8-17-14(21)11-4-5-13(20)19-11)22-15(18-9)10-3-2-6-16-7-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121122169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).