2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid

C19H24N2O2S — CID 122100526

IUPAC2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
SMILESCC(C)c1ccc(-c2nc(CN(C3CC3)C(C)C(=O)O)cs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-12(2)14-4-6-15(7-5-14)18-20-16(11-24-18)10-21(17-8-9-17)13(3)19(22)23/h4-7,11-13,17H,8-10H2,1-3H3,(H,22,23)
InChIKeyYNUHVBROUHGKAO-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.37
Rot. Bonds7

About 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid

2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid (PubChem CID 122100526) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
PubChem CID122100526
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
SMILESCC(C)c1ccc(-c2nc(CN(C3CC3)C(C)C(=O)O)cs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-12(2)14-4-6-15(7-5-14)18-20-16(11-24-18)10-21(17-8-9-17)13(3)19(22)23/h4-7,11-13,17H,8-10H2,1-3H3,(H,22,23)
InChIKeyYNUHVBROUHGKAO-UHFFFAOYSA-N
XLogP4.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid with MolForge

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Related Compounds

2-[cyclopropyl-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119203311
2-[methyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 119905952
2-[cyclopropyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122100477
2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 62637791
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55411702
2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]propanoic acid
CID 122082994
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]propanoic acid
CID 122083039
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911
4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 82091885

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid (CID 122100526) is 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid is CC(C)c1ccc(-c2nc(CN(C3CC3)C(C)C(=O)O)cs2)cc1.
What is the InChIKey of 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
The InChIKey is YNUHVBROUHGKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12(2)14-4-6-15(7-5-14)18-20-16(11-24-18)10-21(17-8-9-17)13(3)19(22)23/h4-7,11-13,17H,8-10H2,1-3H3,(H,22,23).
What are the key properties of 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid?
2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid has a molecular weight of 344.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 122100526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).