2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid

C18H23N3O4S — CID 71816237

IUPAC2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid
SMILESCCCN(C(=O)Nc1nc(C)cs1)c1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H23N3O4S/c1-5-10-21(17(24)20-16-19-12(2)11-26-16)13-6-8-14(9-7-13)25-18(3,4)15(22)23/h6-9,11H,5,10H2,1-4H3,(H,22,23)(H,19,20,24)
InChIKeyAVDJEHSTQGVQRI-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.14
Rot. Bonds7

About 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid

2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid (PubChem CID 71816237) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid
PubChem CID71816237
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid
SMILESCCCN(C(=O)Nc1nc(C)cs1)c1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C18H23N3O4S/c1-5-10-21(17(24)20-16-19-12(2)11-26-16)13-6-8-14(9-7-13)25-18(3,4)15(22)23/h6-9,11H,5,10H2,1-4H3,(H,22,23)(H,19,20,24)
InChIKeyAVDJEHSTQGVQRI-UHFFFAOYSA-N
XLogP4.14
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 61196097
ethyl 2-methyl-2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-propylamino]phenoxy]propanoate
CID 71816236
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515
2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43619432
2-amino-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 60849111
1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
CID 108879471
ethyl 2-methyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl-pentylamino]phenoxy]propanoate
CID 71816252
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
[4-[2-[4-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]ethyl]-1,3-thiazol-2-yl]carbamic acid
CID 150807260
2-[4-[1-[[[4-(2-carboxypropan-2-yloxy)phenyl]-[(3,4-dichlorophenyl)methyl]carbamoyl]amino]hexylcarbamoyl-[(3,4-dichlorophenyl)methyl]amino]phenoxy]-2-methylpropanoic acid
CID 88894500
2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81223615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid (CID 71816237) is 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid is CCCN(C(=O)Nc1nc(C)cs1)c1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid?
The InChIKey is AVDJEHSTQGVQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-5-10-21(17(24)20-16-19-12(2)11-26-16)13-6-8-14(9-7-13)25-18(3,4)15(22)23/h6-9,11H,5,10H2,1-4H3,(H,22,23)(H,19,20,24).
What are the key properties of 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid?
2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid has a molecular weight of 377.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]phenoxy]propanoic acid is sourced from PubChem (CID 71816237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).