N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C7H6N8S — CID 126816115

IUPACN-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1nc(NCc2nn[nH]n2)c2ncsc2n1
InChIInChI=1S/C7H6N8S/c1(4-12-14-15-13-4)8-6-5-7(10-2-9-6)16-3-11-5/h2-3H,1H2,(H,8,9,10)(H,12,13,14,15)
InChIKeyJNYZHMQGFFFCMM-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.21
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 126816115) has the molecular formula C7H6N8S and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID126816115
Molecular FormulaC7H6N8S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1nc(NCc2nn[nH]n2)c2ncsc2n1
InChIInChI=1S/C7H6N8S/c1(4-12-14-15-13-4)8-6-5-7(10-2-9-6)16-3-11-5/h2-3H,1H2,(H,8,9,10)(H,12,13,14,15)
InChIKeyJNYZHMQGFFFCMM-UHFFFAOYSA-N
XLogP0.21
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 126816115) is N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is c1nc(NCc2nn[nH]n2)c2ncsc2n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is JNYZHMQGFFFCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N8S/c1(4-12-14-15-13-4)8-6-5-7(10-2-9-6)16-3-11-5/h2-3H,1H2,(H,8,9,10)(H,12,13,14,15).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 234.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 126816115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).