ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate

C13H15N3O2S — CID 134908093

IUPACethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate
SMILES[H]/N=c1\sc(C(=O)OCC)c(C)n1Nc1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-3-18-12(17)11-9(2)16(13(14)19-11)15-10-7-5-4-6-8-10/h4-8,14-15H,3H2,1-2H3/b14-13-
InChIKeyBGSUBLWAGHXNMC-YPKPFQOOSA-N
MW277.35 g/mol
LogP2.39
Rot. Bonds4

About ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate

ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 134908093) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID134908093
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Nameethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate
SMILES[H]/N=c1\sc(C(=O)OCC)c(C)n1Nc1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-3-18-12(17)11-9(2)16(13(14)19-11)15-10-7-5-4-6-8-10/h4-8,14-15H,3H2,1-2H3/b14-13-
InChIKeyBGSUBLWAGHXNMC-YPKPFQOOSA-N
XLogP2.39
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(furan-2-ylmethyl)-2-imino-4-methyl-1,3-thiazole-5-carboxylate
CID 829626
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
3-anilino-4,5-dimethyl-1,3-thiazol-2-one
CID 12505543
ethyl 2-(1-anilinoethyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 44529079
ethyl (2R)-2-(2-imino-1,3-benzothiazol-3-yl)propanoate
CID 129411918
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 5-(benzenesulfonamido)-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 126063687
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
CID 19064926
ethyl 5-acetamido-4-(benzylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 126118149
CID 158970570
CID 158970570
ethyl 5-[(4-fluorobenzoyl)amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 1496173
ethyl 3-methyl-4-(phenylcarbamoyl)-5-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate
CID 21383079

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate (CID 134908093) is ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate is [H]/N=c1\sc(C(=O)OCC)c(C)n1Nc1ccccc1.
What is the InChIKey of ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BGSUBLWAGHXNMC-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-18-12(17)11-9(2)16(13(14)19-11)15-10-7-5-4-6-8-10/h4-8,14-15H,3H2,1-2H3/b14-13-.
What are the key properties of ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-2-imino-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 134908093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).