ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate

C8H13N3O2S — CID 110719565

IUPACethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
SMILESCCOC(=O)NCc1csc(NC)n1
InChIInChI=1S/C8H13N3O2S/c1-3-13-8(12)10-4-6-5-14-7(9-2)11-6/h5H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPIBKDXLZTSMRPJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.43
Rot. Bonds4

About ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate

ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate (PubChem CID 110719565) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
PubChem CID110719565
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
SMILESCCOC(=O)NCc1csc(NC)n1
InChIInChI=1S/C8H13N3O2S/c1-3-13-8(12)10-4-6-5-14-7(9-2)11-6/h5H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPIBKDXLZTSMRPJ-UHFFFAOYSA-N
XLogP1.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate
CID 174499606
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 110747915
N-methyl-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 130632484
N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131203421
2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
CID 47065587
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857778
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386244

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate (CID 110719565) is ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate is CCOC(=O)NCc1csc(NC)n1.
What is the InChIKey of ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate?
The InChIKey is PIBKDXLZTSMRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-13-8(12)10-4-6-5-14-7(9-2)11-6/h5H,3-4H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate?
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate has a molecular weight of 215.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate is sourced from PubChem (CID 110719565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).