2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

C13H12N4OS — CID 96668443

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESNc1csc2nc(-c3ccc4c(c3)CCCO4)nn12
InChIInChI=1S/C13H12N4OS/c14-11-7-19-13-15-12(16-17(11)13)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7H,1-2,5,14H2
InChIKeyOMZVALFBELJQPU-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.37
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (PubChem CID 96668443) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
PubChem CID96668443
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESNc1csc2nc(-c3ccc4c(c3)CCCO4)nn12
InChIInChI=1S/C13H12N4OS/c14-11-7-19-13-15-12(16-17(11)13)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7H,1-2,5,14H2
InChIKeyOMZVALFBELJQPU-UHFFFAOYSA-N
XLogP2.37
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine with MolForge

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Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
5-amino-4-(3,4-dihydro-2H-chromen-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 82488713

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (CID 96668443) is 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is Nc1csc2nc(-c3ccc4c(c3)CCCO4)nn12.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The InChIKey is OMZVALFBELJQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c14-11-7-19-13-15-12(16-17(11)13)9-3-4-10-8(6-9)2-1-5-18-10/h3-4,6-7H,1-2,5,14H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine has a molecular weight of 272.33 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is sourced from PubChem (CID 96668443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).