N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C12H8N6S — CID 78324014

IUPACN-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1nc(Nc2ccc3[nH]ncc3c2)c2ncsc2n1
InChIInChI=1S/C12H8N6S/c1-2-9-7(4-16-18-9)3-8(1)17-11-10-12(14-5-13-11)19-6-15-10/h1-6H,(H,16,18)(H,13,14,17)
InChIKeyWEGGSUIYJJSKGU-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.71
Rot. Bonds2

About N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 78324014) has the molecular formula C12H8N6S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID78324014
Molecular FormulaC12H8N6S
Molecular Weight268.31 g/mol
Exact Mass268.05
IUPAC NameN-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1nc(Nc2ccc3[nH]ncc3c2)c2ncsc2n1
InChIInChI=1S/C12H8N6S/c1-2-9-7(4-16-18-9)3-8(1)17-11-10-12(14-5-13-11)19-6-15-10/h1-6H,(H,16,18)(H,13,14,17)
InChIKeyWEGGSUIYJJSKGU-UHFFFAOYSA-N
XLogP2.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 78324014) is N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is c1nc(Nc2ccc3[nH]ncc3c2)c2ncsc2n1.
What is the InChIKey of N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is WEGGSUIYJJSKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6S/c1-2-9-7(4-16-18-9)3-8(1)17-11-10-12(14-5-13-11)19-6-15-10/h1-6H,(H,16,18)(H,13,14,17).
What are the key properties of N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 268.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 78324014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).