N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C10H13N5S — CID 64975493

IUPACN-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3ncn[nH]3)nc21
InChIInChI=1S/C10H13N5S/c1-11-6-3-2-4-7-8(6)14-10(16-7)9-12-5-13-15-9/h5-6,11H,2-4H2,1H3,(H,12,13,15)
InChIKeyIPQYTSWFVXAXDI-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.52
Rot. Bonds2

About N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975493) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975493
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3ncn[nH]3)nc21
InChIInChI=1S/C10H13N5S/c1-11-6-3-2-4-7-8(6)14-10(16-7)9-12-5-13-15-9/h5-6,11H,2-4H2,1H3,(H,12,13,15)
InChIKeyIPQYTSWFVXAXDI-UHFFFAOYSA-N
XLogP1.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975493) is N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(-c3ncn[nH]3)nc21.
What is the InChIKey of N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is IPQYTSWFVXAXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-11-6-3-2-4-7-8(6)14-10(16-7)9-12-5-13-15-9/h5-6,11H,2-4H2,1H3,(H,12,13,15).
What are the key properties of N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).