(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

C18H19N5OS — CID 41351884

IUPAC(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nc2ncccn2n1)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H19N5OS/c1-12(25-18-21-17-19-10-5-11-23(17)22-18)16(24)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,20,24)/t12-,15+/m1/s1
InChIKeyZOVUDPYXVRBABD-DOMZBBRYSA-N
MW353.45 g/mol
LogP2.80
Rot. Bonds4

About (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (PubChem CID 41351884) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
PubChem CID41351884
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nc2ncccn2n1)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H19N5OS/c1-12(25-18-21-17-19-10-5-11-23(17)22-18)16(24)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,20,24)/t12-,15+/m1/s1
InChIKeyZOVUDPYXVRBABD-DOMZBBRYSA-N
XLogP2.80
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
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2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (CID 41351884) is (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is C[C@@H](Sc1nc2ncccn2n1)C(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The InChIKey is ZOVUDPYXVRBABD-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12(25-18-21-17-19-10-5-11-23(17)22-18)16(24)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-3,5-6,8,10-12,15H,4,7,9H2,1H3,(H,20,24)/t12-,15+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is sourced from PubChem (CID 41351884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).