(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C21H32N4O3S — CID 26009478

IUPAC(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N1C[C@@H](C(=O)Nc2nc(CN3CCOCC3)cs2)CC1=O
InChIInChI=1S/C21H32N4O3S/c1-14-4-3-5-18(15(14)2)25-11-16(10-19(25)26)20(27)23-21-22-17(13-29-21)12-24-6-8-28-9-7-24/h13-16,18H,3-12H2,1-2H3,(H,22,23,27)/t14-,15-,16+,18+/m1/s1
InChIKeyMKDXWESLXHPYJI-CBZIJGRNSA-N
MW420.58 g/mol
LogP2.59
Rot. Bonds5

About (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 26009478) has the molecular formula C21H32N4O3S and a molecular weight of 420.58 g/mol. Its IUPAC name is (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID26009478
Molecular FormulaC21H32N4O3S
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC Name(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N1C[C@@H](C(=O)Nc2nc(CN3CCOCC3)cs2)CC1=O
InChIInChI=1S/C21H32N4O3S/c1-14-4-3-5-18(15(14)2)25-11-16(10-19(25)26)20(27)23-21-22-17(13-29-21)12-24-6-8-28-9-7-24/h13-16,18H,3-12H2,1-2H3,(H,22,23,27)/t14-,15-,16+,18+/m1/s1
InChIKeyMKDXWESLXHPYJI-CBZIJGRNSA-N
XLogP2.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55503858
1-(3-bromophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55583487
1-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 127323259
(3S)-1-(4-methylphenyl)-5-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 30135085
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
1-(2,3-dimethylcyclohexyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916132
(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide
CID 25388927
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966007
(3S)-1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 11928669
1-(2,3-dimethylcyclohexyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17481851
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 26009478) is (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1N1C[C@@H](C(=O)Nc2nc(CN3CCOCC3)cs2)CC1=O.
What is the InChIKey of (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MKDXWESLXHPYJI-CBZIJGRNSA-N. The full InChI is InChI=1S/C21H32N4O3S/c1-14-4-3-5-18(15(14)2)25-11-16(10-19(25)26)20(27)23-21-22-17(13-29-21)12-24-6-8-28-9-7-24/h13-16,18H,3-12H2,1-2H3,(H,22,23,27)/t14-,15-,16+,18+/m1/s1.
What are the key properties of (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26009478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).