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

C19H22N4O2S — CID 97187900

IUPAC(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid
SMILESCc1ccc([C@H](C(=O)O)N(C)CCc2scnc2C)c(-n2cccn2)c1
InChIInChI=1S/C19H22N4O2S/c1-13-5-6-15(16(11-13)23-9-4-8-21-23)18(19(24)25)22(3)10-7-17-14(2)20-12-26-17/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyZIYFPJQTVPNEAZ-GOSISDBHSA-N
MW370.48 g/mol
LogP3.25
Rot. Bonds7

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

(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid (PubChem CID 97187900) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid
PubChem CID97187900
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid
SMILESCc1ccc([C@H](C(=O)O)N(C)CCc2scnc2C)c(-n2cccn2)c1
InChIInChI=1S/C19H22N4O2S/c1-13-5-6-15(16(11-13)23-9-4-8-21-23)18(19(24)25)22(3)10-7-17-14(2)20-12-26-17/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyZIYFPJQTVPNEAZ-GOSISDBHSA-N
XLogP3.25
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid
CID 97210749
(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
2-[4-(hydroxymethyl)piperidin-1-yl]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid
CID 72887997
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 138045786
1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63837669
4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
CID 55035243
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808
4-methyl-2-pyrazol-1-ylbenzamide
CID 63810394
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
1-methyl-3-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 125443629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid?
The IUPAC name of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid (CID 97187900) is (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid?
The canonical SMILES for (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid is Cc1ccc([C@H](C(=O)O)N(C)CCc2scnc2C)c(-n2cccn2)c1.
What is the InChIKey of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid?
The InChIKey is ZIYFPJQTVPNEAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-5-6-15(16(11-13)23-9-4-8-21-23)18(19(24)25)22(3)10-7-17-14(2)20-12-26-17/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid?
(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid has a molecular weight of 370.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid is sourced from PubChem (CID 97187900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).