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

C18H26N6O2S — CID 128641736

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide
SMILESCC(C)(C)c1csc(C2CN(C(=O)Nc3nc4n(n3)CCCC4)CCO2)n1
InChIInChI=1S/C18H26N6O2S/c1-18(2,3)13-11-27-15(19-13)12-10-23(8-9-26-12)17(25)21-16-20-14-6-4-5-7-24(14)22-16/h11-12H,4-10H2,1-3H3,(H,21,22,25)
InChIKeyXHVFXKMAGKCFEN-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.97
Rot. Bonds2

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide (PubChem CID 128641736) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide
PubChem CID128641736
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide
SMILESCC(C)(C)c1csc(C2CN(C(=O)Nc3nc4n(n3)CCCC4)CCO2)n1
InChIInChI=1S/C18H26N6O2S/c1-18(2,3)13-11-27-15(19-13)12-10-23(8-9-26-12)17(25)21-16-20-14-6-4-5-7-24(14)22-16/h11-12H,4-10H2,1-3H3,(H,21,22,25)
InChIKeyXHVFXKMAGKCFEN-UHFFFAOYSA-N
XLogP2.97
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 128641810
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 128642325
4-acetyl-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 133457235
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide (CID 128641736) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide is CC(C)(C)c1csc(C2CN(C(=O)Nc3nc4n(n3)CCCC4)CCO2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide?
The InChIKey is XHVFXKMAGKCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-18(2,3)13-11-27-15(19-13)12-10-23(8-9-26-12)17(25)21-16-20-14-6-4-5-7-24(14)22-16/h11-12H,4-10H2,1-3H3,(H,21,22,25).
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide?
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 128641736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).