[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate

C17H13ClN2O4S — CID 7880026

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN2O4S/c18-12-5-3-11(4-6-12)17-20-13(10-25-17)9-24-15(21)8-19-16(22)14-2-1-7-23-14/h1-7,10H,8-9H2,(H,19,22)
InChIKeyIZLYVRCAHPLPTC-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.53
Rot. Bonds6

About [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate (PubChem CID 7880026) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
PubChem CID7880026
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN2O4S/c18-12-5-3-11(4-6-12)17-20-13(10-25-17)9-24-15(21)8-19-16(22)14-2-1-7-23-14/h1-7,10H,8-9H2,(H,19,22)
InChIKeyIZLYVRCAHPLPTC-UHFFFAOYSA-N
XLogP3.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 46559524
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate
CID 7909265
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 46559526
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2408728
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate
CID 7899255
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
CID 7783403

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate (CID 7880026) is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate is O=C(CNC(=O)c1ccco1)OCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate?
The InChIKey is IZLYVRCAHPLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c18-12-5-3-11(4-6-12)17-20-13(10-25-17)9-24-15(21)8-19-16(22)14-2-1-7-23-14/h1-7,10H,8-9H2,(H,19,22).
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate?
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate has a molecular weight of 376.82 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7880026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).