propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate

C15H20N2O2S2 — CID 71243245

IUPACpropan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate
SMILESCC(C)=Cc1sc(C2=NCC(C)S2)nc1C(=O)OC(C)C
InChIInChI=1S/C15H20N2O2S2/c1-8(2)6-11-12(15(18)19-9(3)4)17-14(21-11)13-16-7-10(5)20-13/h6,9-10H,7H2,1-5H3
InChIKeyPVTFYTLKXGVBJM-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.01
Rot. Bonds4

About propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate

propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate (PubChem CID 71243245) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate
PubChem CID71243245
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Namepropan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate
SMILESCC(C)=Cc1sc(C2=NCC(C)S2)nc1C(=O)OC(C)C
InChIInChI=1S/C15H20N2O2S2/c1-8(2)6-11-12(15(18)19-9(3)4)17-14(21-11)13-16-7-10(5)20-13/h6,9-10H,7H2,1-5H3
InChIKeyPVTFYTLKXGVBJM-UHFFFAOYSA-N
XLogP4.01
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate (CID 71243245) is propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate is CC(C)=Cc1sc(C2=NCC(C)S2)nc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
The InChIKey is PVTFYTLKXGVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-8(2)6-11-12(15(18)19-9(3)4)17-14(21-11)13-16-7-10(5)20-13/h6,9-10H,7H2,1-5H3.
What are the key properties of propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate?
propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-5-(2-methylprop-1-enyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71243245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).