2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate

C12H19NO3S — CID 42744528

IUPAC2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)COC(=O)C1CSCN1C(=O)C1CC1
InChIInChI=1S/C12H19NO3S/c1-8(2)5-16-12(15)10-6-17-7-13(10)11(14)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyMFMYLBCUUAMTRL-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.50
Rot. Bonds4

About 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate

2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42744528) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42744528
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
SMILESCC(C)COC(=O)C1CSCN1C(=O)C1CC1
InChIInChI=1S/C12H19NO3S/c1-8(2)5-16-12(15)10-6-17-7-13(10)11(14)9-3-4-9/h8-10H,3-7H2,1-2H3
InChIKeyMFMYLBCUUAMTRL-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate (CID 42744528) is 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate is CC(C)COC(=O)C1CSCN1C(=O)C1CC1.
What is the InChIKey of 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is MFMYLBCUUAMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8(2)5-16-12(15)10-6-17-7-13(10)11(14)9-3-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate?
2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 257.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42744528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).