N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C13H13N3S2 — CID 28781462

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2nc3ccccc3s2)cs1
InChIInChI=1S/C13H13N3S2/c1-9-15-10(8-17-9)6-14-7-13-16-11-4-2-3-5-12(11)18-13/h2-5,8,14H,6-7H2,1H3
InChIKeyMXSGRWPDNXIZEN-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.35
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 28781462) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID28781462
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2nc3ccccc3s2)cs1
InChIInChI=1S/C13H13N3S2/c1-9-15-10(8-17-9)6-14-7-13-16-11-4-2-3-5-12(11)18-13/h2-5,8,14H,6-7H2,1H3
InChIKeyMXSGRWPDNXIZEN-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)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

1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598
[1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214676
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60961374
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106398409
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethylphenyl)methanamine
CID 60669491
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
CID 63850720
3-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenol
CID 28665440
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyridin-2-ylphenyl)methanamine
CID 131899021

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 28781462) is N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCc2nc3ccccc3s2)cs1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is MXSGRWPDNXIZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-9-15-10(8-17-9)6-14-7-13-16-11-4-2-3-5-12(11)18-13/h2-5,8,14H,6-7H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 28781462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).