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

C11H9N3S2 — CID 164609772

IUPACN-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
SMILESc1csc(CNc2ccc3sncc3c2)n1
InChIInChI=1S/C11H9N3S2/c1-2-10-8(6-14-16-10)5-9(1)13-7-11-12-3-4-15-11/h1-6,13H,7H2
InChIKeyOMIFOAKGVITKQZ-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.36
Rot. Bonds3

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

N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine (PubChem CID 164609772) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
PubChem CID164609772
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
SMILESc1csc(CNc2ccc3sncc3c2)n1
InChIInChI=1S/C11H9N3S2/c1-2-10-8(6-14-16-10)5-9(1)13-7-11-12-3-4-15-11/h1-6,13H,7H2
InChIKeyOMIFOAKGVITKQZ-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-methyl-1,2-benzothiazol-6-amine
CID 164610254
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoro-1,2-benzothiazol-6-amine
CID 164611317
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
CID 164611814
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164613314
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-methyl-1,2-benzothiazol-5-amine
CID 164616519
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoro-1,2-benzothiazol-5-amine
CID 164618658
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164621424
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164622394
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1,2-benzothiazol-5-amine
CID 164623656
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-6-fluoro-1,2-benzothiazol-5-amine
CID 164623932
N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628451
4-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-5-amine
CID 164612612

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine (CID 164609772) is N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine is c1csc(CNc2ccc3sncc3c2)n1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
The InChIKey is OMIFOAKGVITKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c1-2-10-8(6-14-16-10)5-9(1)13-7-11-12-3-4-15-11/h1-6,13H,7H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine has a molecular weight of 247.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164609772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).