(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid

C15H18N2O2S — CID 97210749

IUPAC(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid
SMILESCc1ncsc1CCN(C)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-11-13(20-10-16-11)8-9-17(2)14(15(18)19)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeySPRWDIMLCCQVGF-CQSZACIVSA-N
MW290.39 g/mol
LogP2.75
Rot. Bonds6

About (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid

(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid (PubChem CID 97210749) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid
PubChem CID97210749
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid
SMILESCc1ncsc1CCN(C)[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-11-13(20-10-16-11)8-9-17(2)14(15(18)19)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeySPRWDIMLCCQVGF-CQSZACIVSA-N
XLogP2.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(2-methylsulfanylphenyl)acetic acid
CID 97208969
2-[4-fluoro-3-(hydroxymethyl)phenyl]-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
CID 72879209
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
CID 72873132
(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
CID 97204051
(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid
CID 97187900
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-2-thiophen-3-ylacetic acid
CID 136550413
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]-2-phenylacetic acid
CID 72873742
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 138045786
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-propan-2-ylamino]acetic acid
CID 62071366
N,1-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenylpyrrole-2-carboxamide
CID 70748986
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid (CID 97210749) is (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid is Cc1ncsc1CCN(C)[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid?
The InChIKey is SPRWDIMLCCQVGF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-13(20-10-16-11)8-9-17(2)14(15(18)19)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid?
(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid has a molecular weight of 290.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 97210749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).