butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate

C19H20N4O3S — CID 131745837

IUPACbutyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate
SMILESCCCCOC(=O)COc1cccnc1Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H20N4O3S/c1-2-3-11-25-17(24)12-26-16-8-6-10-21-18(16)23-19-22-15(13-27-19)14-7-4-5-9-20-14/h4-10,13H,2-3,11-12H2,1H3,(H,21,22,23)
InChIKeyMJRGLXGXOKHYFZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.07
Rot. Bonds9

About butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate

butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate (PubChem CID 131745837) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namebutyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate
PubChem CID131745837
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Namebutyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate
SMILESCCCCOC(=O)COc1cccnc1Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H20N4O3S/c1-2-3-11-25-17(24)12-26-16-8-6-10-21-18(16)23-19-22-15(13-27-19)14-7-4-5-9-20-14/h4-10,13H,2-3,11-12H2,1H3,(H,21,22,23)
InChIKeyMJRGLXGXOKHYFZ-UHFFFAOYSA-N
XLogP4.07
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetic acid
CID 86280870
butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635
3-(2-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 5050313
butyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931640
3-(2-butoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3325625
2-(4-methoxyanilino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46978469
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
ethyl 2-(4-chlorophenyl)-4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108777934
butyl 2-[2-[methoxy(dimethyl)silyl]phenoxy]acetate
CID 14388345
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 704429

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate?
The IUPAC name of butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate (CID 131745837) is butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate.
What is the SMILES notation for butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate?
The canonical SMILES for butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate is CCCCOC(=O)COc1cccnc1Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate?
The InChIKey is MJRGLXGXOKHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-3-11-25-17(24)12-26-16-8-6-10-21-18(16)23-19-22-15(13-27-19)14-7-4-5-9-20-14/h4-10,13H,2-3,11-12H2,1H3,(H,21,22,23).
What are the key properties of butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate?
butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate has a molecular weight of 384.46 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetate is sourced from PubChem (CID 131745837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).