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

C10H14N2O4S — CID 91666188

IUPACmethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-6-5-11-7(17-6)8(13)15-4/h5H,1-4H3,(H,12,14)
InChIKeyITJCMIVBQREMEP-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.28
Rot. Bonds2

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

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate (PubChem CID 91666188) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
PubChem CID91666188
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-6-5-11-7(17-6)8(13)15-4/h5H,1-4H3,(H,12,14)
InChIKeyITJCMIVBQREMEP-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

Ethyl 5-amino-1,3-thiazole-2-carboxylate
CID 21955445
Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate
CID 46942156
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
CID 71748574
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate
CID 22135000
2-[(2-Methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid
CID 22135181
Tert-butyl (2-formylthiazol-5-yl)carbamate
CID 59503642
(2-Morpholin-4-ylmethyl-thiazol-5-yl)-carbamic acid tert-butyl ester
CID 68516619
Tert-butyl 5-[(2-ethoxy-2-oxoethyl)amino]-1,3-thiazole-2-carboxylate
CID 69953048
5-(Boc-amino)thiazole-2-carboxylic acid
CID 72208000

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate (CID 91666188) is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate is COC(=O)c1ncc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
The InChIKey is ITJCMIVBQREMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(14)12-6-5-11-7(17-6)8(13)15-4/h5H,1-4H3,(H,12,14).
What are the key properties of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate?
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-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 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 91666188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).