[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C21H23N5O2S — CID 166218925

IUPAC[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCc4cnc(C(C)C)nc4C3)cs2)cc1
InChIInChI=1S/C21H23N5O2S/c1-13(2)19-22-10-14-8-9-26(11-17(14)24-19)20(27)18-12-29-21(25-18)23-15-4-6-16(28-3)7-5-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,23,25)
InChIKeyVWMRSPDEWZIUOI-UHFFFAOYSA-N
MW409.52 g/mol
LogP4.01
Rot. Bonds5

About [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 166218925) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID166218925
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCOc1ccc(Nc2nc(C(=O)N3CCc4cnc(C(C)C)nc4C3)cs2)cc1
InChIInChI=1S/C21H23N5O2S/c1-13(2)19-22-10-14-8-9-26(11-17(14)24-19)20(27)18-12-29-21(25-18)23-15-4-6-16(28-3)7-5-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,23,25)
InChIKeyVWMRSPDEWZIUOI-UHFFFAOYSA-N
XLogP4.01
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone with MolForge

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Related Compounds

(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 166192968
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510150
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46079079
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 136546604
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 4676910
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876899
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509931
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
2-(4-methoxyanilino)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120830754
2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813617
(3,5-dimethylpiperidin-1-yl)-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]methanone
CID 16955179

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 166218925) is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is COc1ccc(Nc2nc(C(=O)N3CCc4cnc(C(C)C)nc4C3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is VWMRSPDEWZIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13(2)19-22-10-14-8-9-26(11-17(14)24-19)20(27)18-12-29-21(25-18)23-15-4-6-16(28-3)7-5-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,23,25).
What are the key properties of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 409.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 166218925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).