1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C9H12N8S — CID 72877630

IUPAC1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC(C)c3nn[nH]n3)sc12
InChIInChI=1S/C9H12N8S/c1-4-6-8(17(3)14-4)11-9(18-6)10-5(2)7-12-15-16-13-7/h5H,1-3H3,(H,10,11)(H,12,13,15,16)
InChIKeyUVFJYYBRMJKAKB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds3

About 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72877630) has the molecular formula C9H12N8S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72877630
Molecular FormulaC9H12N8S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC(C)c3nn[nH]n3)sc12
InChIInChI=1S/C9H12N8S/c1-4-6-8(17(3)14-4)11-9(18-6)10-5(2)7-12-15-16-13-7/h5H,1-3H3,(H,10,11)(H,12,13,15,16)
InChIKeyUVFJYYBRMJKAKB-UHFFFAOYSA-N
XLogP1.02
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72877630) is 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NC(C)c3nn[nH]n3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is UVFJYYBRMJKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8S/c1-4-6-8(17(3)14-4)11-9(18-6)10-5(2)7-12-15-16-13-7/h5H,1-3H3,(H,10,11)(H,12,13,15,16).
What are the key properties of 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 264.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72877630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).