5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine

C11H9N3S2 — CID 107800290

IUPAC5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc3ncsc3c2)s1
InChIInChI=1S/C11H9N3S2/c12-11-13-5-8(16-11)3-7-1-2-9-10(4-7)15-6-14-9/h1-2,4-6H,3H2,(H2,12,13)
InChIKeyLTAWNBYALRWIOI-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.93
Rot. Bonds2

About 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine

5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 107800290) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
PubChem CID107800290
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc3ncsc3c2)s1
InChIInChI=1S/C11H9N3S2/c12-11-13-5-8(16-11)3-7-1-2-9-10(4-7)15-6-14-9/h1-2,4-6H,3H2,(H2,12,13)
InChIKeyLTAWNBYALRWIOI-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 63334948
1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605
3-(1,3-benzothiazol-6-yl)propan-1-amine
CID 69250616
5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 107622752
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87629601
4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)benzonitrile
CID 60764390
5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 79050088
[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol
CID 141368142
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide
CID 154705131
6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
CID 159412821

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine (CID 107800290) is 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine is Nc1ncc(Cc2ccc3ncsc3c2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is LTAWNBYALRWIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c12-11-13-5-8(16-11)3-7-1-2-9-10(4-7)15-6-14-9/h1-2,4-6H,3H2,(H2,12,13).
What are the key properties of 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine?
5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 247.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107800290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).