5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide

C27H26N2O6S — CID 91420112

IUPAC5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide
SMILESCCCc1c2c(c(O)c3c(=O)cc(C(=O)Nc4ccc(Cc5sc(=O)[nH]c5O)cc4)oc13)CCCC2
InChIInChI=1S/C27H26N2O6S/c1-2-5-18-16-6-3-4-7-17(16)23(31)22-19(30)13-20(35-24(18)22)25(32)28-15-10-8-14(9-11-15)12-21-26(33)29-27(34)36-21/h8-11,13,31,33H,2-7,12H2,1H3,(H,28,32)(H,29,34)
InChIKeyJJNGGXULPJTHDO-UHFFFAOYSA-N
MW506.58 g/mol
LogP4.63
Rot. Bonds6

About 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide

5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide (PubChem CID 91420112) has the molecular formula C27H26N2O6S and a molecular weight of 506.58 g/mol. Its IUPAC name is 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide
PubChem CID91420112
Molecular FormulaC27H26N2O6S
Molecular Weight506.58 g/mol
Exact Mass506.15
IUPAC Name5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide
SMILESCCCc1c2c(c(O)c3c(=O)cc(C(=O)Nc4ccc(Cc5sc(=O)[nH]c5O)cc4)oc13)CCCC2
InChIInChI=1S/C27H26N2O6S/c1-2-5-18-16-6-3-4-7-17(16)23(31)22-19(30)13-20(35-24(18)22)25(32)28-15-10-8-14(9-11-15)12-21-26(33)29-27(34)36-21/h8-11,13,31,33H,2-7,12H2,1H3,(H,28,32)(H,29,34)
InChIKeyJJNGGXULPJTHDO-UHFFFAOYSA-N
XLogP4.63
TPSA132.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide (CID 91420112) is 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide is CCCc1c2c(c(O)c3c(=O)cc(C(=O)Nc4ccc(Cc5sc(=O)[nH]c5O)cc4)oc13)CCCC2.
What is the InChIKey of 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide?
The InChIKey is JJNGGXULPJTHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6S/c1-2-5-18-16-6-3-4-7-17(16)23(31)22-19(30)13-20(35-24(18)22)25(32)28-15-10-8-14(9-11-15)12-21-26(33)29-27(34)36-21/h8-11,13,31,33H,2-7,12H2,1H3,(H,28,32)(H,29,34).
What are the key properties of 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide?
5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxamide is sourced from PubChem (CID 91420112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).