2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid

C19H18N2O4S — CID 87418022

IUPAC2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(Oc1ccc2ccccc2c1)C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C19H18N2O4S/c1-19(2,17(24)21-18-20-14(11-26-18)10-16(22)23)25-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,11H,10H2,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyICWASQOUUWCANF-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87418022) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87418022
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(Oc1ccc2ccccc2c1)C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C19H18N2O4S/c1-19(2,17(24)21-18-20-14(11-26-18)10-16(22)23)25-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,11H,10H2,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyICWASQOUUWCANF-UHFFFAOYSA-N
XLogP3.72
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
ethyl 2-[2-[(2-methyl-2-naphthalen-1-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 86642357
2-[2-[(2-methoxy-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62032289
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 46741059
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
2-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119346160
2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 45388130
N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide
CID 166311579
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 87418022) is 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid is CC(C)(Oc1ccc2ccccc2c1)C(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ICWASQOUUWCANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-19(2,17(24)21-18-20-14(11-26-18)10-16(22)23)25-15-8-7-12-5-3-4-6-13(12)9-15/h3-9,11H,10H2,1-2H3,(H,22,23)(H,20,21,24).
What are the key properties of 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 370.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87418022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).