1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C14H17N7OS — CID 166256178

IUPAC1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2nc3ccccn3n2)n1
InChIInChI=1S/C14H17N7OS/c1-20(2)8-10-9-23-12(16-10)7-15-14(22)18-13-17-11-5-3-4-6-21(11)19-13/h3-6,9H,7-8H2,1-2H3,(H2,15,18,19,22)
InChIKeyUCHPOOORAHLYGC-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.57
Rot. Bonds5

About 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 166256178) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID166256178
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESCN(C)Cc1csc(CNC(=O)Nc2nc3ccccn3n2)n1
InChIInChI=1S/C14H17N7OS/c1-20(2)8-10-9-23-12(16-10)7-15-14(22)18-13-17-11-5-3-4-6-21(11)19-13/h3-6,9H,7-8H2,1-2H3,(H2,15,18,19,22)
InChIKeyUCHPOOORAHLYGC-UHFFFAOYSA-N
XLogP1.57
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 166256178) is 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is CN(C)Cc1csc(CNC(=O)Nc2nc3ccccn3n2)n1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is UCHPOOORAHLYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-20(2)8-10-9-23-12(16-10)7-15-14(22)18-13-17-11-5-3-4-6-21(11)19-13/h3-6,9H,7-8H2,1-2H3,(H2,15,18,19,22).
What are the key properties of 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 331.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 166256178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).