[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine

C12H11N3S2 — CID 79146804

IUPAC[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cccc2sc(-c3csc(CN)n3)nc12
InChIInChI=1S/C12H11N3S2/c1-7-3-2-4-9-11(7)15-12(17-9)8-6-16-10(5-13)14-8/h2-4,6H,5,13H2,1H3
InChIKeySCBVTZHXAKZVBX-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.19
Rot. Bonds2

About [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 79146804) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID79146804
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC Name[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cccc2sc(-c3csc(CN)n3)nc12
InChIInChI=1S/C12H11N3S2/c1-7-3-2-4-9-11(7)15-12(17-9)8-6-16-10(5-13)14-8/h2-4,6H,5,13H2,1H3
InChIKeySCBVTZHXAKZVBX-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 79146804) is [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine is Cc1cccc2sc(-c3csc(CN)n3)nc12.
What is the InChIKey of [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is SCBVTZHXAKZVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-7-3-2-4-9-11(7)15-12(17-9)8-6-16-10(5-13)14-8/h2-4,6H,5,13H2,1H3.
What are the key properties of [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 261.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 79146804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).