4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide

C11H9ClN2O2S — CID 59786529

IUPAC4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(Cc2cc(Cl)ccc2O)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-7-1-2-9(15)6(3-7)4-8-5-17-11(14-8)10(13)16/h1-3,5,15H,4H2,(H2,13,16)
InChIKeyKKXKEHQDPITNMP-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.19
Rot. Bonds3

About 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide

4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide (PubChem CID 59786529) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide
PubChem CID59786529
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC Name4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(Cc2cc(Cl)ccc2O)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-7-1-2-9(15)6(3-7)4-8-5-17-11(14-8)10(13)16/h1-3,5,15H,4H2,(H2,13,16)
InChIKeyKKXKEHQDPITNMP-UHFFFAOYSA-N
XLogP2.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide (CID 59786529) is 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide is NC(=O)c1nc(Cc2cc(Cl)ccc2O)cs1.
What is the InChIKey of 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is KKXKEHQDPITNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-7-1-2-9(15)6(3-7)4-8-5-17-11(14-8)10(13)16/h1-3,5,15H,4H2,(H2,13,16).
What are the key properties of 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide?
4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 268.72 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 59786529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).