[2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate

C16H17ClN2O3S — CID 17035262

IUPAC[2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(C)s/c(=N\c2ccc(Cl)cc2)n1C(=O)CC
InChIInChI=1S/C16H17ClN2O3S/c1-4-13(20)19-15(22-14(21)5-2)10(3)23-16(19)18-12-8-6-11(17)7-9-12/h6-9H,4-5H2,1-3H3/b18-16-
InChIKeyAHTOUUOROPPOFD-VLGSPTGOSA-N
MW352.84 g/mol
LogP4.11
Rot. Bonds4

About [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate

[2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate (PubChem CID 17035262) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
PubChem CID17035262
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name[2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(C)s/c(=N\c2ccc(Cl)cc2)n1C(=O)CC
InChIInChI=1S/C16H17ClN2O3S/c1-4-13(20)19-15(22-14(21)5-2)10(3)23-16(19)18-12-8-6-11(17)7-9-12/h6-9H,4-5H2,1-3H3/b18-16-
InChIKeyAHTOUUOROPPOFD-VLGSPTGOSA-N
XLogP4.11
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The IUPAC name of [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate (CID 17035262) is [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate.
What is the SMILES notation for [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The canonical SMILES for [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate is CCC(=O)Oc1c(C)s/c(=N\c2ccc(Cl)cc2)n1C(=O)CC.
What is the InChIKey of [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The InChIKey is AHTOUUOROPPOFD-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-4-13(20)19-15(22-14(21)5-2)10(3)23-16(19)18-12-8-6-11(17)7-9-12/h6-9H,4-5H2,1-3H3/b18-16-.
What are the key properties of [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
[2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate has a molecular weight of 352.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)imino-5-methyl-3-propanoyl-1,3-thiazol-4-yl] propanoate is sourced from PubChem (CID 17035262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).