N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C16H25N5OS — CID 71918371

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCCC2NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H25N5OS/c1-16(2,3)15-18-9-11(23-15)8-17-12-6-5-7-21-14(12)19-13(20-21)10-22-4/h9,12,17H,5-8,10H2,1-4H3
InChIKeyWJUMGXOQEFHBLV-UHFFFAOYSA-N
MW335.48 g/mol
LogP2.80
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 71918371) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID71918371
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCOCc1nc2n(n1)CCCC2NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H25N5OS/c1-16(2,3)15-18-9-11(23-15)8-17-12-6-5-7-21-14(12)19-13(20-21)10-22-4/h9,12,17H,5-8,10H2,1-4H3
InChIKeyWJUMGXOQEFHBLV-UHFFFAOYSA-N
XLogP2.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 71918371) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is COCc1nc2n(n1)CCCC2NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is WJUMGXOQEFHBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-16(2,3)15-18-9-11(23-15)8-17-12-6-5-7-21-14(12)19-13(20-21)10-22-4/h9,12,17H,5-8,10H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 335.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 71918371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).