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

C13H18N6OS — CID 128642325

IUPAC1-(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
SMILESCC(C)(NC(=O)Nc1nc2n(n1)CCCC2)c1nccs1
InChIInChI=1S/C13H18N6OS/c1-13(2,10-14-6-8-21-10)17-12(20)16-11-15-9-5-3-4-7-19(9)18-11/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18,20)
InChIKeyHKGBAUNQXJHEHE-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.13
Rot. Bonds3

About 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

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 (PubChem CID 128642325) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID128642325
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name1-(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
SMILESCC(C)(NC(=O)Nc1nc2n(n1)CCCC2)c1nccs1
InChIInChI=1S/C13H18N6OS/c1-13(2,10-14-6-8-21-10)17-12(20)16-11-15-9-5-3-4-7-19(9)18-11/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18,20)
InChIKeyHKGBAUNQXJHEHE-UHFFFAOYSA-N
XLogP2.13
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
1-acetyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 136512712
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
CID 128656615
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
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 114131864
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 103790286
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide
CID 103845803
N,N-diethyl-2-[5-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]indol-1-yl]acetamide
CID 86962624
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxolane-3-carboxamide
CID 114130919

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(NC(=O)Nc1nc2n(n1)CCCC2)c1nccs1.
What is the InChIKey of 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?
The InChIKey is HKGBAUNQXJHEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-13(2,10-14-6-8-21-10)17-12(20)16-11-15-9-5-3-4-7-19(9)18-11/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 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?
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 has a molecular weight of 306.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 128642325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).