methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate

C10H14N2O4S — CID 45117879

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-8-11-5-6(17-8)7(13)15-4/h5H,1-4H3,(H,11,12,14)
InChIKeyQYBMXOPMKOCQGN-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.28
Rot. Bonds2

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate (PubChem CID 45117879) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate
PubChem CID45117879
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-8-11-5-6(17-8)7(13)15-4/h5H,1-4H3,(H,11,12,14)
InChIKeyQYBMXOPMKOCQGN-UHFFFAOYSA-N
XLogP2.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-aminothiazole-5-carboxylate
CID 238005
Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
2-Amino-thiazole-5-carboxylic acid ethyl ester
CID 314628
Ethyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9607486
Tert-butyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9633626
2-N-Boc-Amino-Thiazole-5-Carboxylic Acid
CID 22271442
2-(((Tert-butoxy)carbonyl)(methyl)amino)-1,3-thiazole-5-carboxylic acid
CID 22350419
tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate
CID 53393345
2-(2-Methylpropanamido)-1,3-thiazole-5-carboxylic acid
CID 138472962
Ethyl 2-((tert-butoxy(hydroxy)methylidene)amino)-1,3-thiazole-5-carboxylate
CID 7213140
Tert-butyl 2-{[(dimethylamino)methylidene]amino}-1,3-thiazole-5-carboxylate
CID 3738801
Methyl 2-[(trifluoroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 156025295

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate (CID 45117879) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is QYBMXOPMKOCQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-8-11-5-6(17-8)7(13)15-4/h5H,1-4H3,(H,11,12,14).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 45117879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).