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

C19H23N3O2S — CID 51966657

IUPACN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1nc(C)c([C@@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)s1
InChIInChI=1S/C19H23N3O2S/c1-12-18(25-14(3)20-12)13(2)21-19(24)16-7-4-6-15(10-16)11-22-9-5-8-17(22)23/h4,6-7,10,13H,5,8-9,11H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyDDORXARHPAXETE-CYBMUJFWSA-N
MW357.48 g/mol
LogP3.37
Rot. Bonds5

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

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 51966657) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID51966657
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1nc(C)c([C@@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)s1
InChIInChI=1S/C19H23N3O2S/c1-12-18(25-14(3)20-12)13(2)21-19(24)16-7-4-6-15(10-16)11-22-9-5-8-17(22)23/h4,6-7,10,13H,5,8-9,11H2,1-3H3,(H,21,24)/t13-/m1/s1
InChIKeyDDORXARHPAXETE-CYBMUJFWSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95296656
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9264414
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9478642
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407060
methyl (2S)-3,3-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]butanoate
CID 56794232
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24621148
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 94652870
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 51966657) is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1nc(C)c([C@@H](C)NC(=O)c2cccc(CN3CCCC3=O)c2)s1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is DDORXARHPAXETE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-18(25-14(3)20-12)13(2)21-19(24)16-7-4-6-15(10-16)11-22-9-5-8-17(22)23/h4,6-7,10,13H,5,8-9,11H2,1-3H3,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 51966657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).