methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate

C13H18N2O3S — CID 75523823

IUPACmethyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate
SMILESCCC(NC(=O)C1(C(=O)OC)CC1)c1ncc(C)s1
InChIInChI=1S/C13H18N2O3S/c1-4-9(10-14-7-8(2)19-10)15-11(16)13(5-6-13)12(17)18-3/h7,9H,4-6H2,1-3H3,(H,15,16)
InChIKeyBLCIJVUJCDKCCF-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.97
Rot. Bonds5

About methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate

methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate (PubChem CID 75523823) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate
PubChem CID75523823
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namemethyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate
SMILESCCC(NC(=O)C1(C(=O)OC)CC1)c1ncc(C)s1
InChIInChI=1S/C13H18N2O3S/c1-4-9(10-14-7-8(2)19-10)15-11(16)13(5-6-13)12(17)18-3/h7,9H,4-6H2,1-3H3,(H,15,16)
InChIKeyBLCIJVUJCDKCCF-UHFFFAOYSA-N
XLogP1.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate (CID 75523823) is methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate is CCC(NC(=O)C1(C(=O)OC)CC1)c1ncc(C)s1.
What is the InChIKey of methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate?
The InChIKey is BLCIJVUJCDKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-9(10-14-7-8(2)19-10)15-11(16)13(5-6-13)12(17)18-3/h7,9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate?
methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 75523823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).