methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate

C11H18N2O3S — CID 80572796

IUPACmethyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCCC(COC)Nc1ncc(C(=O)OC)s1
InChIInChI=1S/C11H18N2O3S/c1-4-5-8(7-15-2)13-11-12-6-9(17-11)10(14)16-3/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyPMZDGEMSBFCLCX-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.16
Rot. Bonds7

About methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate

methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 80572796) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID80572796
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCCC(COC)Nc1ncc(C(=O)OC)s1
InChIInChI=1S/C11H18N2O3S/c1-4-5-8(7-15-2)13-11-12-6-9(17-11)10(14)16-3/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyPMZDGEMSBFCLCX-UHFFFAOYSA-N
XLogP2.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate (CID 80572796) is methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate is CCCC(COC)Nc1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is PMZDGEMSBFCLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-5-8(7-15-2)13-11-12-6-9(17-11)10(14)16-3/h6,8H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 258.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxypentan-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).