methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate

C7H9N3O3S — CID 172584056

IUPACmethyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1NC(N)=O
InChIInChI=1S/C7H9N3O3S/c1-3-9-4(6(11)13-2)5(14-3)10-7(8)12/h1-2H3,(H3,8,10,12)
InChIKeyLEVQQQDTUSOEKD-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.73
Rot. Bonds2

About methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 172584056) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID172584056
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Namemethyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1NC(N)=O
InChIInChI=1S/C7H9N3O3S/c1-3-9-4(6(11)13-2)5(14-3)10-7(8)12/h1-2H3,(H3,8,10,12)
InChIKeyLEVQQQDTUSOEKD-UHFFFAOYSA-N
XLogP0.73
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482957
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 2-[2-(carbamoylamino)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83117228
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239

Frequently Asked Questions

What is the IUPAC name of methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate (CID 172584056) is methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1NC(N)=O.
What is the InChIKey of methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is LEVQQQDTUSOEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-3-9-4(6(11)13-2)5(14-3)10-7(8)12/h1-2H3,(H3,8,10,12).
What are the key properties of methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 172584056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).