N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine

C10H9N5S — CID 1380912

IUPACN-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc2c(c1)nnn2CNc1nccs1
InChIInChI=1S/C10H9N5S/c1-2-4-9-8(3-1)13-14-15(9)7-12-10-11-5-6-16-10/h1-6H,7H2,(H,11,12)
InChIKeyMRUPIZIWGXXQAI-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.96
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine

N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 1380912) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID1380912
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC NameN-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc2c(c1)nnn2CNc1nccs1
InChIInChI=1S/C10H9N5S/c1-2-4-9-8(3-1)13-14-15(9)7-12-10-11-5-6-16-10/h1-6H,7H2,(H,11,12)
InChIKeyMRUPIZIWGXXQAI-UHFFFAOYSA-N
XLogP1.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine (CID 1380912) is N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine is c1ccc2c(c1)nnn2CNc1nccs1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is MRUPIZIWGXXQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-2-4-9-8(3-1)13-14-15(9)7-12-10-11-5-6-16-10/h1-6H,7H2,(H,11,12).
What are the key properties of N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 231.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1380912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).