methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate

C11H17ClN2O3S — CID 80707719

IUPACmethyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)CCOC(C)C)nc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-7(2)17-6-5-14(3)11-13-9(12)8(18-11)10(15)16-4/h7H,5-6H2,1-4H3
InChIKeyUXXWQOKNNRYTSV-UHFFFAOYSA-N
MW292.79 g/mol
LogP2.44
Rot. Bonds6

About methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80707719) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80707719
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Namemethyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)CCOC(C)C)nc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-7(2)17-6-5-14(3)11-13-9(12)8(18-11)10(15)16-4/h7H,5-6H2,1-4H3
InChIKeyUXXWQOKNNRYTSV-UHFFFAOYSA-N
XLogP2.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 2-[butan-2-yl(2-methoxyethyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 55000172
methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-[cyclopropyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylate
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methyl 2-[bis(cyanomethyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 60823083
methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate
CID 61450412
methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate (CID 80707719) is methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)CCOC(C)C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is UXXWQOKNNRYTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-7(2)17-6-5-14(3)11-13-9(12)8(18-11)10(15)16-4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 292.79 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80707719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).