2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate

C15H15ClN3O4S- — CID 7144729

IUPAC2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)[O-])cs1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O4S/c1-23-6-5-19(8-13-18-12(9-24-13)14(20)21)15(22)17-11-4-2-3-10(16)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,17,22)(H,20,21)/p-1
InChIKeyUXTGUBHUOZURIN-UHFFFAOYSA-M
MW368.82 g/mol
LogP1.84
Rot. Bonds7

About 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate

2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 7144729) has the molecular formula C15H15ClN3O4S- and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID7144729
Molecular FormulaC15H15ClN3O4S-
Molecular Weight368.82 g/mol
Exact Mass368.05
IUPAC Name2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)[O-])cs1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O4S/c1-23-6-5-19(8-13-18-12(9-24-13)14(20)21)15(22)17-11-4-2-3-10(16)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,17,22)(H,20,21)/p-1
InChIKeyUXTGUBHUOZURIN-UHFFFAOYSA-M
XLogP1.84
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]urea
CID 4027870
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417946
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 4529382
1-[[4-(4-benzylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 4269742
methyl 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3920263
1-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 4214772
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 3342044
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-(3,4-dichlorophenyl)-1-(2-methoxyethyl)-1-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]urea
CID 42769540
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 5219781
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4263175

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 7144729) is 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate is COCCN(Cc1nc(C(=O)[O-])cs1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is UXTGUBHUOZURIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16ClN3O4S/c1-23-6-5-19(8-13-18-12(9-24-13)14(20)21)15(22)17-11-4-2-3-10(16)7-11/h2-4,7,9H,5-6,8H2,1H3,(H,17,22)(H,20,21)/p-1.
What are the key properties of 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate?
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7144729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).