N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C20H21N5O2S — CID 24621148

IUPACN-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1nc(NC(=O)c2cccc(CN3CCCC3=O)c2)sc1-c1nccn1C
InChIInChI=1S/C20H21N5O2S/c1-13-17(18-21-8-10-24(18)2)28-20(22-13)23-19(27)15-6-3-5-14(11-15)12-25-9-4-7-16(25)26/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,22,23,27)
InChIKeyVMJXJMRFAMQOHI-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.23
Rot. Bonds5

About N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 24621148) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID24621148
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1nc(NC(=O)c2cccc(CN3CCCC3=O)c2)sc1-c1nccn1C
InChIInChI=1S/C20H21N5O2S/c1-13-17(18-21-8-10-24(18)2)28-20(22-13)23-19(27)15-6-3-5-14(11-15)12-25-9-4-7-16(25)26/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,22,23,27)
InChIKeyVMJXJMRFAMQOHI-UHFFFAOYSA-N
XLogP3.23
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51966657
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 26694871
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 25368730
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(1-methyl-5-phenylimidazol-2-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 154681674
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55825252
3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 25348239
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 24621148) is N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1nc(NC(=O)c2cccc(CN3CCCC3=O)c2)sc1-c1nccn1C.
What is the InChIKey of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VMJXJMRFAMQOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-13-17(18-21-8-10-24(18)2)28-20(22-13)23-19(27)15-6-3-5-14(11-15)12-25-9-4-7-16(25)26/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,22,23,27).
What are the key properties of N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 395.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 24621148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).