(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid

C16H14N2O2S2 — CID 166226959

IUPAC(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid
SMILESO=C(O)[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1
InChIInChI=1S/C16H14N2O2S2/c19-16(20)14(11-4-2-1-3-5-11)17-8-13-9-18-15(22-13)12-6-7-21-10-12/h1-7,9-10,14,17H,8H2,(H,19,20)/t14-/m1/s1
InChIKeyBMROMTBXFCTSSV-CQSZACIVSA-N
MW330.43 g/mol
LogP3.79
Rot. Bonds6

About (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid

(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid (PubChem CID 166226959) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid
PubChem CID166226959
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid
SMILESO=C(O)[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1
InChIInChI=1S/C16H14N2O2S2/c19-16(20)14(11-4-2-1-3-5-11)17-8-13-9-18-15(22-13)12-6-7-21-10-12/h1-7,9-10,14,17H,8H2,(H,19,20)/t14-/m1/s1
InChIKeyBMROMTBXFCTSSV-CQSZACIVSA-N
XLogP3.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
(2S)-3-methyl-2-[(2-phenyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 120510586
N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111471875
2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 120913270
4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963038
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 106373563
1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 111974624
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86940531
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 166253350
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid (CID 166226959) is (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid is O=C(O)[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid?
The InChIKey is BMROMTBXFCTSSV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c19-16(20)14(11-4-2-1-3-5-11)17-8-13-9-18-15(22-13)12-6-7-21-10-12/h1-7,9-10,14,17H,8H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid?
(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid has a molecular weight of 330.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 166226959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).