methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate

C11H18N2O2S — CID 103466455

IUPACmethyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
SMILESCCC(C)(C)CNc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-11(2,3)7-12-10-13-8(6-16-10)9(14)15-4/h6H,5,7H2,1-4H3,(H,12,13)
InChIKeyXRIRAYHAIICDEZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.78
Rot. Bonds5

About methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate

methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate (PubChem CID 103466455) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
PubChem CID103466455
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
SMILESCCC(C)(C)CNc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-11(2,3)7-12-10-13-8(6-16-10)9(14)15-4/h6H,5,7H2,1-4H3,(H,12,13)
InChIKeyXRIRAYHAIICDEZ-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate
CID 115423580
methyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-4-carboxylate
CID 113307080
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
methyl 2-(2-pyrrolidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 115424261
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 115424823
methyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106006432
methyl 2-(4,5-dihydroxypentylamino)-1,3-thiazole-4-carboxylate
CID 155592482
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
methyl 2-[(1-methylpiperidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306855

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate (CID 103466455) is methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate is CCC(C)(C)CNc1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is XRIRAYHAIICDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-11(2,3)7-12-10-13-8(6-16-10)9(14)15-4/h6H,5,7H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate?
methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 242.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103466455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).