(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid

C19H17N3O3S — CID 97285509

IUPAC(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid
SMILESCN(C(=O)c1csc(Cc2ccccc2)n1)[C@H](C(=O)O)c1cccnc1
InChIInChI=1S/C19H17N3O3S/c1-22(17(19(24)25)14-8-5-9-20-11-14)18(23)15-12-26-16(21-15)10-13-6-3-2-4-7-13/h2-9,11-12,17H,10H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyIOXDIZKBBPFASI-KRWDZBQOSA-N
MW367.43 g/mol
LogP3.03
Rot. Bonds6

About (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid

(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid (PubChem CID 97285509) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid
PubChem CID97285509
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid
SMILESCN(C(=O)c1csc(Cc2ccccc2)n1)[C@H](C(=O)O)c1cccnc1
InChIInChI=1S/C19H17N3O3S/c1-22(17(19(24)25)14-8-5-9-20-11-14)18(23)15-12-26-16(21-15)10-13-6-3-2-4-7-13/h2-9,11-12,17H,10H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyIOXDIZKBBPFASI-KRWDZBQOSA-N
XLogP3.03
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-benzyl-N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 70769685
4-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]butanoic acid
CID 119173292
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
(2-benzyl-1,3-thiazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 70751823
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120524228
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid?
The IUPAC name of (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid (CID 97285509) is (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid.
What is the SMILES notation for (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid?
The canonical SMILES for (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid is CN(C(=O)c1csc(Cc2ccccc2)n1)[C@H](C(=O)O)c1cccnc1.
What is the InChIKey of (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid?
The InChIKey is IOXDIZKBBPFASI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-22(17(19(24)25)14-8-5-9-20-11-14)18(23)15-12-26-16(21-15)10-13-6-3-2-4-7-13/h2-9,11-12,17H,10H2,1H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid?
(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid has a molecular weight of 367.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 97285509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).