(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C16H23N3O2S — CID 96515887

IUPAC(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCCc2nc(C3CCCCC3)cs2)N1
InChIInChI=1S/C16H23N3O2S/c20-14-7-6-12(18-14)16(21)17-9-8-15-19-13(10-22-15)11-4-2-1-3-5-11/h10-12H,1-9H2,(H,17,21)(H,18,20)/t12-/m1/s1
InChIKeySMDHETWTKGUHLQ-GFCCVEGCSA-N
MW321.45 g/mol
LogP2.13
Rot. Bonds5

About (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 96515887) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID96515887
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCCc2nc(C3CCCCC3)cs2)N1
InChIInChI=1S/C16H23N3O2S/c20-14-7-6-12(18-14)16(21)17-9-8-15-19-13(10-22-15)11-4-2-1-3-5-11/h10-12H,1-9H2,(H,17,21)(H,18,20)/t12-/m1/s1
InChIKeySMDHETWTKGUHLQ-GFCCVEGCSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 110445216
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119886645
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
CID 119947232
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374029
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide
CID 138994800
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
N-[2-(cycloheptylamino)ethyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119619815

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 96515887) is (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NCCc2nc(C3CCCCC3)cs2)N1.
What is the InChIKey of (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SMDHETWTKGUHLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-14-7-6-12(18-14)16(21)17-9-8-15-19-13(10-22-15)11-4-2-1-3-5-11/h10-12H,1-9H2,(H,17,21)(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 96515887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).