N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine

C13H10N4S2 — CID 107804908

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCc3cn4ccsc4n3)cc2s1
InChIInChI=1S/C13H10N4S2/c1-2-11-12(19-8-15-11)5-9(1)14-6-10-7-17-3-4-18-13(17)16-10/h1-5,7-8,14H,6H2
InChIKeyXFOGHSXQAQNJBX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.62
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine (PubChem CID 107804908) has the molecular formula C13H10N4S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
PubChem CID107804908
Molecular FormulaC13H10N4S2
Molecular Weight286.38 g/mol
Exact Mass286.03
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCc3cn4ccsc4n3)cc2s1
InChIInChI=1S/C13H10N4S2/c1-2-11-12(19-8-15-11)5-9(1)14-6-10-7-17-3-4-18-13(17)16-10/h1-5,7-8,14H,6H2
InChIKeyXFOGHSXQAQNJBX-UHFFFAOYSA-N
XLogP3.62
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 115331578
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
CID 115331566
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 103818915
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103773135
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine (CID 107804908) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine is c1nc2ccc(NCc3cn4ccsc4n3)cc2s1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine?
The InChIKey is XFOGHSXQAQNJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S2/c1-2-11-12(19-8-15-11)5-9(1)14-6-10-7-17-3-4-18-13(17)16-10/h1-5,7-8,14H,6H2.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine has a molecular weight of 286.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107804908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).