(5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate

C16H18N2O3S — CID 17035246

IUPAC(5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate
SMILESCCC(=O)Oc1c(C)s/c(=N\c2ccccc2)n1C(=O)CC
InChIInChI=1S/C16H18N2O3S/c1-4-13(19)18-15(21-14(20)5-2)11(3)22-16(18)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b17-16-
InChIKeyVHCNCBRINZLEST-MSUUIHNZSA-N
MW318.40 g/mol
LogP3.46
Rot. Bonds4

About (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate

(5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate (PubChem CID 17035246) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate.

Molecular Properties

Compound Name(5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate
PubChem CID17035246
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate
SMILESCCC(=O)Oc1c(C)s/c(=N\c2ccccc2)n1C(=O)CC
InChIInChI=1S/C16H18N2O3S/c1-4-13(19)18-15(21-14(20)5-2)11(3)22-16(18)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b17-16-
InChIKeyVHCNCBRINZLEST-MSUUIHNZSA-N
XLogP3.46
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate?
The IUPAC name of (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate (CID 17035246) is (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate.
What is the SMILES notation for (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate?
The canonical SMILES for (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate is CCC(=O)Oc1c(C)s/c(=N\c2ccccc2)n1C(=O)CC.
What is the InChIKey of (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate?
The InChIKey is VHCNCBRINZLEST-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-4-13(19)18-15(21-14(20)5-2)11(3)22-16(18)17-12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b17-16-.
What are the key properties of (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate?
(5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate has a molecular weight of 318.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylimino-3-propanoyl-1,3-thiazol-4-yl) propanoate is sourced from PubChem (CID 17035246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).