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

C14H14FN3O3S — CID 2472130

IUPACethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C14H14FN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyVQFQYNMOQQRZTP-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.41
Rot. Bonds4

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

ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2472130) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2472130
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Nameethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C
InChIInChI=1S/C14H14FN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H2,16,17,18,20)
InChIKeyVQFQYNMOQQRZTP-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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Related Compounds

4-Thiazoleacetic acid, 2-[[[(4-fluorophenyl)amino]carbonyl]amino]-, ethyl ester
CID 2813998
Ethyl 2-((4-fluorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 935079
Ethyl 2-[(4-bromophenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 947453
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
Ethyl 2-(3-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2731542
Ethyl 2-{[(4-fluorophenyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3921576
[1-(4-Fluoroanilino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16302114
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 782862
Ethyl 2-{[3-(4-fluorophenyl)acryloyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 896898
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118
ethyl 4-methyl-2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxylate
CID 2171196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2472130) is ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VQFQYNMOQQRZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-3-21-12(19)11-8(2)16-14(22-11)18-13(20)17-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H2,16,17,18,20).
What are the key properties of ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-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-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2472130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).