methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate

C19H19N3O3S — CID 59225684

IUPACmethyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Nc2ncccc2OCc2ccccc2)n1
InChIInChI=1S/C19H19N3O3S/c1-24-17(23)10-9-15-13-26-19(21-15)22-18-16(8-5-11-20-18)25-12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,22)
InChIKeyXPRRRJOODZKSQA-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.97
Rot. Bonds8

About methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate

methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate (PubChem CID 59225684) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate
PubChem CID59225684
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Namemethyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Nc2ncccc2OCc2ccccc2)n1
InChIInChI=1S/C19H19N3O3S/c1-24-17(23)10-9-15-13-26-19(21-15)22-18-16(8-5-11-20-18)25-12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,22)
InChIKeyXPRRRJOODZKSQA-UHFFFAOYSA-N
XLogP3.97
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
CID 59225705
2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen
CID 143452733
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetic acid
CID 86280870
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
methyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039928
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
(4-methylpiperazin-1-yl)-[3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxymethyl]phenyl]methanone
CID 87373942
methyl 3-[2-[(6-methyl-3-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040356
methyl 3-[2-(3-bromo-2-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107638494
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate (CID 59225684) is methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(Nc2ncccc2OCc2ccccc2)n1.
What is the InChIKey of methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is XPRRRJOODZKSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-17(23)10-9-15-13-26-19(21-15)22-18-16(8-5-11-20-18)25-12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,22).
What are the key properties of methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 369.45 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 59225684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).