methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate

C13H20N2O2S — CID 113307287

IUPACmethyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2C(C)(C)C2(C)C)sc1C
InChIInChI=1S/C13H20N2O2S/c1-7-8(9(16)17-6)14-11(18-7)15-10-12(2,3)13(10,4)5/h10H,1-6H3,(H,14,15)
InChIKeyUPXNZCHRNFEQAY-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.08
Rot. Bonds3

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

methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 113307287) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID113307287
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2C(C)(C)C2(C)C)sc1C
InChIInChI=1S/C13H20N2O2S/c1-7-8(9(16)17-6)14-11(18-7)15-10-12(2,3)13(10,4)5/h10H,1-6H3,(H,14,15)
InChIKeyUPXNZCHRNFEQAY-UHFFFAOYSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate
CID 115423629
methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83039056
methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 113306887
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 5-methyl-2-(3-methylpentan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 106331938
methyl 5-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 130179602
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106543880
methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306591

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate (CID 113307287) is methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC2C(C)(C)C2(C)C)sc1C.
What is the InChIKey of methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is UPXNZCHRNFEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-7-8(9(16)17-6)14-11(18-7)15-10-12(2,3)13(10,4)5/h10H,1-6H3,(H,14,15).
What are the key properties of methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).