N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride

C14H17ClN2O3S — CID 18532258

IUPACN-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride
SMILESCOc1ccc(C(O)Cn2ccs/c2=N\C(C)=O)cc1.Cl
InChIInChI=1S/C14H16N2O3S.ClH/c1-10(17)15-14-16(7-8-20-14)9-13(18)11-3-5-12(19-2)6-4-11;/h3-8,13,18H,9H2,1-2H3;1H/b15-14-;
InChIKeyDASJKVNPQLCABS-BGWNKZQTSA-N
MW328.82 g/mol
LogP2.16
Rot. Bonds4

About N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride

N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride (PubChem CID 18532258) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride
PubChem CID18532258
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC NameN-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride
SMILESCOc1ccc(C(O)Cn2ccs/c2=N\C(C)=O)cc1.Cl
InChIInChI=1S/C14H16N2O3S.ClH/c1-10(17)15-14-16(7-8-20-14)9-13(18)11-3-5-12(19-2)6-4-11;/h3-8,13,18H,9H2,1-2H3;1H/b15-14-;
InChIKeyDASJKVNPQLCABS-BGWNKZQTSA-N
XLogP2.16
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride?
The IUPAC name of N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride (CID 18532258) is N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride?
The canonical SMILES for N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride is COc1ccc(C(O)Cn2ccs/c2=N\C(C)=O)cc1.Cl.
What is the InChIKey of N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride?
The InChIKey is DASJKVNPQLCABS-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H16N2O3S.ClH/c1-10(17)15-14-16(7-8-20-14)9-13(18)11-3-5-12(19-2)6-4-11;/h3-8,13,18H,9H2,1-2H3;1H/b15-14-;.
What are the key properties of N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride?
N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-ylidene]acetamide;hydrochloride is sourced from PubChem (CID 18532258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).