methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate

C18H15ClN2O3S — CID 97035977

IUPACmethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3S/c1-23-17(22)14-8-12(15-10-25-18(20)21-15)5-6-16(14)24-9-11-3-2-4-13(19)7-11/h2-8,10H,9H2,1H3,(H2,20,21)
InChIKeyNVQNWGQJRANRML-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.41
Rot. Bonds5

About methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate

methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate (PubChem CID 97035977) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate
PubChem CID97035977
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Namemethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O3S/c1-23-17(22)14-8-12(15-10-25-18(20)21-15)5-6-16(14)24-9-11-3-2-4-13(19)7-11/h2-8,10H,9H2,1H3,(H2,20,21)
InChIKeyNVQNWGQJRANRML-UHFFFAOYSA-N
XLogP4.41
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate
CID 97036008
methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate
CID 63552597
2-[(3-chlorophenyl)methoxy]-5-(3-methylphenyl)benzoic acid
CID 175660787
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126037963
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
N-[2-[[4-[[2-(2-amino-1,3-thiazol-4-yl)-4-chlorophenoxy]methyl]benzoyl]amino]ethyl]-3-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 155518326
[5-[(3-chlorophenyl)methoxy]-2-methoxycarbonyl-4-pyridinyl]boronic acid
CID 131745601
(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604902

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate?
The IUPAC name of methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate (CID 97035977) is methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate is COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate?
The InChIKey is NVQNWGQJRANRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-23-17(22)14-8-12(15-10-25-18(20)21-15)5-6-16(14)24-9-11-3-2-4-13(19)7-11/h2-8,10H,9H2,1H3,(H2,20,21).
What are the key properties of methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate?
methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate has a molecular weight of 374.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 97035977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).