(2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C18H28N4O2S — CID 128859223

IUPAC(2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCC[C@H]3CN3CCOCC3)nc21
InChIInChI=1S/C18H28N4O2S/c1-18(2)6-5-14-15(18)19-16(25-14)20-17(23)22-7-3-4-13(22)12-21-8-10-24-11-9-21/h13H,3-12H2,1-2H3,(H,19,20,23)/t13-/m0/s1
InChIKeyUNOFGGYRUDWHNP-ZDUSSCGKSA-N
MW364.52 g/mol
LogP2.70
Rot. Bonds3

About (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

(2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 128859223) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID128859223
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3CCC[C@H]3CN3CCOCC3)nc21
InChIInChI=1S/C18H28N4O2S/c1-18(2)6-5-14-15(18)19-16(25-14)20-17(23)22-7-3-4-13(22)12-21-8-10-24-11-9-21/h13H,3-12H2,1-2H3,(H,19,20,23)/t13-/m0/s1
InChIKeyUNOFGGYRUDWHNP-ZDUSSCGKSA-N
XLogP2.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 128859223) is (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is CC1(C)CCc2sc(NC(=O)N3CCC[C@H]3CN3CCOCC3)nc21.
What is the InChIKey of (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is UNOFGGYRUDWHNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-18(2)6-5-14-15(18)19-16(25-14)20-17(23)22-7-3-4-13(22)12-21-8-10-24-11-9-21/h13H,3-12H2,1-2H3,(H,19,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
(2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128859223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).