4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid

C19H16N2O5S — CID 162757248

IUPAC4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid
SMILESCc1nc(COC(N)=O)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C19H16N2O5S/c1-10-17(27-16(21-10)9-26-19(20)25)13-4-2-3-11(7-13)12-5-6-14(18(23)24)15(22)8-12/h2-8,22H,9H2,1H3,(H2,20,25)(H,23,24)
InChIKeyZCRBPNBARFQXDN-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.78
Rot. Bonds5

About 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid

4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid (PubChem CID 162757248) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid
PubChem CID162757248
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid
SMILESCc1nc(COC(N)=O)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C19H16N2O5S/c1-10-17(27-16(21-10)9-26-19(20)25)13-4-2-3-11(7-13)12-5-6-14(18(23)24)15(22)8-12/h2-8,22H,9H2,1H3,(H2,20,25)(H,23,24)
InChIKeyZCRBPNBARFQXDN-UHFFFAOYSA-N
XLogP3.78
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid with MolForge

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Related Compounds

US20230348450, Example 105
CID 162757207
US20230348450, Example 320
CID 162757111
US20230348450, Example 312
CID 162757128
US20230348450, Example 292
CID 162757217
US20230348450, Example 104
CID 162757295
US20230348450, Example 317
CID 162757311
US20230348450, Example 81
CID 162757052
US20230348450, Example 276
CID 162757072
US20230348450, Example 103
CID 162757088
US20230348450, Example 67
CID 162757112
US20230348450, Example 295
CID 162757117
US20230348450, Example 108
CID 162757132

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid (CID 162757248) is 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid is Cc1nc(COC(N)=O)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)c1.
What is the InChIKey of 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid?
The InChIKey is ZCRBPNBARFQXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-10-17(27-16(21-10)9-26-19(20)25)13-4-2-3-11(7-13)12-5-6-14(18(23)24)15(22)8-12/h2-8,22H,9H2,1H3,(H2,20,25)(H,23,24).
What are the key properties of 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid?
4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid has a molecular weight of 384.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(carbamoyloxymethyl)-4-methyl-1,3-thiazol-5-yl]phenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 162757248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).