ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C14H14FN3O3S — CID 2472128

IUPACethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccccc2F)nc1C
InChIInChI=1S/C14H14FN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-7-5-4-6-9(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyBQOURRIAMQRXHA-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.41
Rot. Bonds4

About ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2472128) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2472128
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Nameethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccccc2F)nc1C
InChIInChI=1S/C14H14FN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-7-5-4-6-9(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyBQOURRIAMQRXHA-UHFFFAOYSA-N
XLogP3.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2472128) is ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Nc2ccccc2F)nc1C.
What is the InChIKey of ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BQOURRIAMQRXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-7-5-4-6-9(10)15/h4-7H,3H2,1-2H3,(H2,16,17,18,20).
What are the key properties of ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2472128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).