(2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C20H29N3O2S2 — CID 3426839

IUPAC(2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)N4CCSC4)cs3)CC2)C1(C)C
InChIInChI=1S/C20H29N3O2S2/c1-19(2)15(20(19,3)4)18(25)22-7-5-13(6-8-22)16-21-14(11-27-16)17(24)23-9-10-26-12-23/h11,13,15H,5-10,12H2,1-4H3
InChIKeyGISNKQIXDFNODW-UHFFFAOYSA-N
MW407.61 g/mol
LogP3.68
Rot. Bonds3

About (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

(2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 3426839) has the molecular formula C20H29N3O2S2 and a molecular weight of 407.61 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID3426839
Molecular FormulaC20H29N3O2S2
Molecular Weight407.61 g/mol
Exact Mass407.17
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)N4CCSC4)cs3)CC2)C1(C)C
InChIInChI=1S/C20H29N3O2S2/c1-19(2)15(20(19,3)4)18(25)22-7-5-13(6-8-22)16-21-14(11-27-16)17(24)23-9-10-26-12-23/h11,13,15H,5-10,12H2,1-4H3
InChIKeyGISNKQIXDFNODW-UHFFFAOYSA-N
XLogP3.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 3426839) is (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is CC1(C)C(C(=O)N2CCC(c3nc(C(=O)N4CCSC4)cs3)CC2)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is GISNKQIXDFNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S2/c1-19(2)15(20(19,3)4)18(25)22-7-5-13(6-8-22)16-21-14(11-27-16)17(24)23-9-10-26-12-23/h11,13,15H,5-10,12H2,1-4H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
(2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 407.61 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-[4-[4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3426839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).