(2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

C13H17NO3S — CID 75514324

IUPAC(2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCC1CC1COC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C13H17NO3S/c1-8-5-9(8)7-17-13(15)11-6-14-12(18-11)10-3-2-4-16-10/h6,8-10H,2-5,7H2,1H3
InChIKeyRDTKEIZFAXNZOG-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.81
Rot. Bonds4

About (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

(2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 75514324) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID75514324
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCC1CC1COC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C13H17NO3S/c1-8-5-9(8)7-17-13(15)11-6-14-12(18-11)10-3-2-4-16-10/h6,8-10H,2-5,7H2,1H3
InChIKeyRDTKEIZFAXNZOG-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (CID 75514324) is (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is CC1CC1COC(=O)c1cnc(C2CCCO2)s1.
What is the InChIKey of (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is RDTKEIZFAXNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-5-9(8)7-17-13(15)11-6-14-12(18-11)10-3-2-4-16-10/h6,8-10H,2-5,7H2,1H3.
What are the key properties of (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
(2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 75514324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).