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

C10H9N5S — CID 3464456

IUPAC4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(Cn2nnc3ccccc32)cs1
InChIInChI=1S/C10H9N5S/c11-10-12-7(6-16-10)5-15-9-4-2-1-3-8(9)13-14-15/h1-4,6H,5H2,(H2,11,12)
InChIKeyHQLHYOYQZARXPG-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.52
Rot. Bonds2

About 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine

4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 3464456) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID3464456
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(Cn2nnc3ccccc32)cs1
InChIInChI=1S/C10H9N5S/c11-10-12-7(6-16-10)5-15-9-4-2-1-3-8(9)13-14-15/h1-4,6H,5H2,(H2,11,12)
InChIKeyHQLHYOYQZARXPG-UHFFFAOYSA-N
XLogP1.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzo[g][1]benzothiol-3-ylmethyl)benzotriazole
CID 3767587
2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 62850138
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
1-(benzotriazol-1-ylmethyl)pyridin-1-ium-2-amine
CID 3711305
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
1-(2-amino-1,3-thiazol-4-yl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 116575680
1-(benzotriazol-1-ylmethylsulfinylmethyl)benzotriazole
CID 3765882
2-(benzotriazol-1-yl)acetonitrile
CID 139073743
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
CID 1240078
1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole
CID 134125631

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine (CID 3464456) is 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(Cn2nnc3ccccc32)cs1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is HQLHYOYQZARXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-10-12-7(6-16-10)5-15-9-4-2-1-3-8(9)13-14-15/h1-4,6H,5H2,(H2,11,12).
What are the key properties of 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine?
4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 231.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3464456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).