cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone

C16H26N2O3S — CID 3341011

IUPACcyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESCC(C)CC1SCC(C(=O)N2CCOCC2)N1C(=O)C1CC1
InChIInChI=1S/C16H26N2O3S/c1-11(2)9-14-18(15(19)12-3-4-12)13(10-22-14)16(20)17-5-7-21-8-6-17/h11-14H,3-10H2,1-2H3
InChIKeyYGCXNDZGPCXMSD-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.57
Rot. Bonds4

About cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone

cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 3341011) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID3341011
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Namecyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESCC(C)CC1SCC(C(=O)N2CCOCC2)N1C(=O)C1CC1
InChIInChI=1S/C16H26N2O3S/c1-11(2)9-14-18(15(19)12-3-4-12)13(10-22-14)16(20)17-5-7-21-8-6-17/h11-14H,3-10H2,1-2H3
InChIKeyYGCXNDZGPCXMSD-UHFFFAOYSA-N
XLogP1.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone (CID 3341011) is cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone is CC(C)CC1SCC(C(=O)N2CCOCC2)N1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is YGCXNDZGPCXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11(2)9-14-18(15(19)12-3-4-12)13(10-22-14)16(20)17-5-7-21-8-6-17/h11-14H,3-10H2,1-2H3.
What are the key properties of cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone?
cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 326.46 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2-methylpropyl)-4-(morpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 3341011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).