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

C12H11N3S2 — CID 61283669

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
SMILESc1ccc2sc(CNCc3nccs3)nc2c1
InChIInChI=1S/C12H11N3S2/c1-2-4-10-9(3-1)15-12(17-10)8-13-7-11-14-5-6-16-11/h1-6,13H,7-8H2
InChIKeyZVNDCGWZKVCDAM-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.04
Rot. Bonds4

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

N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 61283669) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
PubChem CID61283669
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
SMILESc1ccc2sc(CNCc3nccs3)nc2c1
InChIInChI=1S/C12H11N3S2/c1-2-4-10-9(3-1)15-12(17-10)8-13-7-11-14-5-6-16-11/h1-6,13H,7-8H2
InChIKeyZVNDCGWZKVCDAM-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine
CID 62357906
N-(1,3-benzothiazol-2-ylmethyl)-2-phenylethanamine
CID 28665156
3-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenol
CID 28665440
4-[(1,3-benzothiazol-2-ylmethylamino)methyl]benzene-1,3-diol
CID 28665229
4-(1,3-benzothiazol-2-ylmethylamino)butan-1-ol
CID 83961861
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
CID 61284615
1-(1,3-benzothiazol-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 71923974

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine (CID 61283669) is N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine is c1ccc2sc(CNCc3nccs3)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is ZVNDCGWZKVCDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-2-4-10-9(3-1)15-12(17-10)8-13-7-11-14-5-6-16-11/h1-6,13H,7-8H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 261.38 g/mol, XLogP of 3.04, 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-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61283669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).