2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid

C18H22N2O3S — CID 119219168

IUPAC2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCCc1nc(C)c(C(=O)NC(c2ccccc2)C(C)C(=O)O)s1
InChIInChI=1S/C18H22N2O3S/c1-4-8-14-19-12(3)16(24-14)17(21)20-15(11(2)18(22)23)13-9-6-5-7-10-13/h5-7,9-11,15H,4,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDZODRLVPIALDJM-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.60
Rot. Bonds7

About 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid

2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119219168) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119219168
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCCc1nc(C)c(C(=O)NC(c2ccccc2)C(C)C(=O)O)s1
InChIInChI=1S/C18H22N2O3S/c1-4-8-14-19-12(3)16(24-14)17(21)20-15(11(2)18(22)23)13-9-6-5-7-10-13/h5-7,9-11,15H,4,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDZODRLVPIALDJM-UHFFFAOYSA-N
XLogP3.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethylthiophene-2-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219102
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
4-methyl-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 86938357
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 47066160
2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 49318983
2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119199794
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid (CID 119219168) is 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid is CCCc1nc(C)c(C(=O)NC(c2ccccc2)C(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is DZODRLVPIALDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-8-14-19-12(3)16(24-14)17(21)20-15(11(2)18(22)23)13-9-6-5-7-10-13/h5-7,9-11,15H,4,8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid?
2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 346.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119219168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).