methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate

C15H24N2O4S — CID 66698491

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)C(Cc1csc(C(C)C)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-9(2)12-16-10(8-22-12)7-11(13(18)20-6)17-14(19)21-15(3,4)5/h8-9,11H,7H2,1-6H3,(H,17,19)
InChIKeyUOSSYMRTOSGSRJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.88
Rot. Bonds5

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate (PubChem CID 66698491) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate
PubChem CID66698491
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)C(Cc1csc(C(C)C)n1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4S/c1-9(2)12-16-10(8-22-12)7-11(13(18)20-6)17-14(19)21-15(3,4)5/h8-9,11H,7H2,1-6H3,(H,17,19)
InChIKeyUOSSYMRTOSGSRJ-UHFFFAOYSA-N
XLogP2.88
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate (CID 66698491) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate is COC(=O)C(Cc1csc(C(C)C)n1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate?
The InChIKey is UOSSYMRTOSGSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-9(2)12-16-10(8-22-12)7-11(13(18)20-6)17-14(19)21-15(3,4)5/h8-9,11H,7H2,1-6H3,(H,17,19).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate has a molecular weight of 328.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 66698491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).