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

C15H17N3O3S — CID 122074952

IUPAC3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid
SMILESCc1nc(-c2ccc(NC(=O)N(C)CCC(=O)O)cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-10-16-13(9-22-10)11-3-5-12(6-4-11)17-15(21)18(2)8-7-14(19)20/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUEVDPEOWEQPSLG-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.06
Rot. Bonds5

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

3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid (PubChem CID 122074952) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid
PubChem CID122074952
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid
SMILESCc1nc(-c2ccc(NC(=O)N(C)CCC(=O)O)cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-10-16-13(9-22-10)11-3-5-12(6-4-11)17-15(21)18(2)8-7-14(19)20/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUEVDPEOWEQPSLG-UHFFFAOYSA-N
XLogP3.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
3-[methyl-[[4-(4-methylpyrimidin-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122084799
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid (CID 122074952) is 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid is Cc1nc(-c2ccc(NC(=O)N(C)CCC(=O)O)cc2)cs1.
What is the InChIKey of 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid?
The InChIKey is UEVDPEOWEQPSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-16-13(9-22-10)11-3-5-12(6-4-11)17-15(21)18(2)8-7-14(19)20/h3-6,9H,7-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid?
3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid has a molecular weight of 319.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122074952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).