2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid

C22H19ClN2O3S — CID 146452073

IUPAC2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)Cc2ccccc2C1
InChIInChI=1S/C22H19ClN2O3S/c23-17-7-5-14(6-8-17)18-13-29-19(25-18)12-24-21(28)22(11-20(26)27)9-15-3-1-2-4-16(15)10-22/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
InChIKeyICNRDMILBGIINC-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.34
Rot. Bonds6

About 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid

2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 146452073) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
PubChem CID146452073
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)Cc2ccccc2C1
InChIInChI=1S/C22H19ClN2O3S/c23-17-7-5-14(6-8-17)18-13-29-19(25-18)12-24-21(28)22(11-20(26)27)9-15-3-1-2-4-16(15)10-22/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
InChIKeyICNRDMILBGIINC-UHFFFAOYSA-N
XLogP4.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid with MolForge

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Related Compounds

2-[2-[[4-[4-(4,4-dimethylpiperazin-4-ium-1-carbonyl)phenyl]-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146452091
2-[2-[[4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146469352
2-[2-[[4-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazol-4-yl]-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146452471
2-[2-[[4-[4-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]azocan-4-yl]phenyl]-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146534476
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 71690204
3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 60556784
2-[[[2-(carboxymethyl)-1,3-dihydroindene-2-carbonyl]amino]methyl]-1,3-benzothiazole-4-sulfinate
CID 166768092
2-[2-[[5-(3-aminoprop-1-enyl)-1,3-benzothiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135338891
2-[2-[(1-methylimidazol-4-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135338773
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid (CID 146452073) is 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid is O=C(O)CC1(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)Cc2ccccc2C1.
What is the InChIKey of 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is ICNRDMILBGIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c23-17-7-5-14(6-8-17)18-13-29-19(25-18)12-24-21(28)22(11-20(26)27)9-15-3-1-2-4-16(15)10-22/h1-8,13H,9-12H2,(H,24,28)(H,26,27).
What are the key properties of 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 426.93 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 146452073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).