[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine

C14H13N3S — CID 113277609

IUPAC[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine
SMILESCc1ccc2sc(-c3ccnc(CN)c3)nc2c1
InChIInChI=1S/C14H13N3S/c1-9-2-3-13-12(6-9)17-14(18-13)10-4-5-16-11(7-10)8-15/h2-7H,8,15H2,1H3
InChIKeyTUDCNRXGNOHNDW-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.13
Rot. Bonds2

About [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine

[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine (PubChem CID 113277609) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine
PubChem CID113277609
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine
SMILESCc1ccc2sc(-c3ccnc(CN)c3)nc2c1
InChIInChI=1S/C14H13N3S/c1-9-2-3-13-12(6-9)17-14(18-13)10-4-5-16-11(7-10)8-15/h2-7H,8,15H2,1H3
InChIKeyTUDCNRXGNOHNDW-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 107813631
[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]methanamine
CID 114324844
3-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 43306267
(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride
CID 126806025
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 90144970
2-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,3-benzothiazole
CID 43305005
3-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 61235672
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
5-(5-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 64526919
4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305023
[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79142702

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine (CID 113277609) is [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine is Cc1ccc2sc(-c3ccnc(CN)c3)nc2c1.
What is the InChIKey of [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine?
The InChIKey is TUDCNRXGNOHNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-2-3-13-12(6-9)17-14(18-13)10-4-5-16-11(7-10)8-15/h2-7H,8,15H2,1H3.
What are the key properties of [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine?
[4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine has a molecular weight of 255.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,3-benzothiazol-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 113277609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).