2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide

C15H19N5O2S — CID 86773181

IUPAC2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOc1ncnc2c1CN(C(C)C(=O)Nc1nccs1)CC2
InChIInChI=1S/C15H19N5O2S/c1-3-22-14-11-8-20(6-4-12(11)17-9-18-14)10(2)13(21)19-15-16-5-7-23-15/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,19,21)
InChIKeyWNDGOSZFXOHJER-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 86773181) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID86773181
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOc1ncnc2c1CN(C(C)C(=O)Nc1nccs1)CC2
InChIInChI=1S/C15H19N5O2S/c1-3-22-14-11-8-20(6-4-12(11)17-9-18-14)10(2)13(21)19-15-16-5-7-23-15/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,19,21)
InChIKeyWNDGOSZFXOHJER-UHFFFAOYSA-N
XLogP1.72
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
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2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71878628
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 86773181) is 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide is CCOc1ncnc2c1CN(C(C)C(=O)Nc1nccs1)CC2.
What is the InChIKey of 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WNDGOSZFXOHJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-3-22-14-11-8-20(6-4-12(11)17-9-18-14)10(2)13(21)19-15-16-5-7-23-15/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,19,21).
What are the key properties of 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 333.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 86773181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).