[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine

C12H11N3S2 — CID 79142702

IUPAC[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1ccc2nc(-c3csc(CN)n3)sc2c1
InChIInChI=1S/C12H11N3S2/c1-7-2-3-8-10(4-7)17-12(15-8)9-6-16-11(5-13)14-9/h2-4,6H,5,13H2,1H3
InChIKeyFYRLBJMTGMURHF-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.19
Rot. Bonds2

About [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 79142702) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID79142702
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC Name[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1ccc2nc(-c3csc(CN)n3)sc2c1
InChIInChI=1S/C12H11N3S2/c1-7-2-3-8-10(4-7)17-12(15-8)9-6-16-11(5-13)14-9/h2-4,6H,5,13H2,1H3
InChIKeyFYRLBJMTGMURHF-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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Related Compounds

[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79511931
2-[4-(6-bromo-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 79534126
[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79146804
2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 79142285
(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride
CID 126806025
2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 79142624
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
(6-methyl-1,3-benzothiazol-2-yl)methanethiol
CID 137419548
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine
CID 113277609

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 79142702) is [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine is Cc1ccc2nc(-c3csc(CN)n3)sc2c1.
What is the InChIKey of [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is FYRLBJMTGMURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-7-2-3-8-10(4-7)17-12(15-8)9-6-16-11(5-13)14-9/h2-4,6H,5,13H2,1H3.
What are the key properties of [4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-(6-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-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 79142702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).