N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine

C9H8N6S2 — CID 90828842

IUPACN-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESCn1nnc(-c2ccc(Nc3nccs3)s2)n1
InChIInChI=1S/C9H8N6S2/c1-15-13-8(12-14-15)6-2-3-7(17-6)11-9-10-4-5-16-9/h2-5H,1H3,(H,10,11)
InChIKeyYZBXBTYIPPBOIB-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.14
Rot. Bonds3

About N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine

N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine (PubChem CID 90828842) has the molecular formula C9H8N6S2 and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine
PubChem CID90828842
Molecular FormulaC9H8N6S2
Molecular Weight264.34 g/mol
Exact Mass264.03
IUPAC NameN-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESCn1nnc(-c2ccc(Nc3nccs3)s2)n1
InChIInChI=1S/C9H8N6S2/c1-15-13-8(12-14-15)6-2-3-7(17-6)11-9-10-4-5-16-9/h2-5H,1H3,(H,10,11)
InChIKeyYZBXBTYIPPBOIB-UHFFFAOYSA-N
XLogP2.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine (CID 90828842) is N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine is Cn1nnc(-c2ccc(Nc3nccs3)s2)n1.
What is the InChIKey of N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine?
The InChIKey is YZBXBTYIPPBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S2/c1-15-13-8(12-14-15)6-2-3-7(17-6)11-9-10-4-5-16-9/h2-5H,1H3,(H,10,11).
What are the key properties of N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine?
N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine has a molecular weight of 264.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90828842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).