methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate

C16H18FN3O3S — CID 3969919

IUPACmethyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)cs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-3-8-20(9-14-18-13(10-24-14)15(21)23-2)16(22)19-12-7-5-4-6-11(12)17/h4-7,10H,3,8-9H2,1-2H3,(H,19,22)
InChIKeyXOMJPWGDMMXXQI-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.51
Rot. Bonds6

About methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 3969919) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID3969919
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Namemethyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OC)cs1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-3-8-20(9-14-18-13(10-24-14)15(21)23-2)16(22)19-12-7-5-4-6-11(12)17/h4-7,10H,3,8-9H2,1-2H3,(H,19,22)
InChIKeyXOMJPWGDMMXXQI-UHFFFAOYSA-N
XLogP3.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[naphthalen-1-ylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196447
methyl 2-[[(2-methylphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate
CID 42766922
ethyl 2-[[(2-methylphenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198268
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 42769572
2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-N,N-dipropyl-1,3-thiazole-4-carboxamide
CID 1199565
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 811069
ethyl 2-[[(2,3-dichlorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 1198257
N-propyl-2-[[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 42765731
methyl 2-[[naphthalene-1-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766734
ethyl 2-[[(3,4-difluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate
CID 4584309
ethyl 2-[[(2-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate
CID 4001186
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417949

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate (CID 3969919) is methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate is CCCN(Cc1nc(C(=O)OC)cs1)C(=O)Nc1ccccc1F.
What is the InChIKey of methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is XOMJPWGDMMXXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-3-8-20(9-14-18-13(10-24-14)15(21)23-2)16(22)19-12-7-5-4-6-11(12)17/h4-7,10H,3,8-9H2,1-2H3,(H,19,22).
What are the key properties of methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3969919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).