N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C13H18N6OS — CID 154565961

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESNc1nc(CCCNC(=O)C2CCc3ncnn3C2)cs1
InChIInChI=1S/C13H18N6OS/c14-13-18-10(7-21-13)2-1-5-15-12(20)9-3-4-11-16-8-17-19(11)6-9/h7-9H,1-6H2,(H2,14,18)(H,15,20)
InChIKeyAWMUZKMTSXBUAP-UHFFFAOYSA-N
MW306.40 g/mol
LogP0.63
Rot. Bonds5

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 154565961) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID154565961
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESNc1nc(CCCNC(=O)C2CCc3ncnn3C2)cs1
InChIInChI=1S/C13H18N6OS/c14-13-18-10(7-21-13)2-1-5-15-12(20)9-3-4-11-16-8-17-19(11)6-9/h7-9H,1-6H2,(H2,14,18)(H,15,20)
InChIKeyAWMUZKMTSXBUAP-UHFFFAOYSA-N
XLogP0.63
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155502252
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
CID 45231821
N-[2-(methylsulfamoyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154822643
(1R,3R,4S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135091405
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
CID 91765036
N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155510027
(1S,3S,4S)-4-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methoxycyclohexane-1-carboxamide;dihydrochloride
CID 163334584
(3R,5S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72935972
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155503661
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 131920666
(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95862437
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 131894462

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 154565961) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is Nc1nc(CCCNC(=O)C2CCc3ncnn3C2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is AWMUZKMTSXBUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c14-13-18-10(7-21-13)2-1-5-15-12(20)9-3-4-11-16-8-17-19(11)6-9/h7-9H,1-6H2,(H2,14,18)(H,15,20).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 306.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 154565961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).