7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine

C12H11ClN4S — CID 55171385

IUPAC7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCn1ccnc1CNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C12H11ClN4S/c1-17-6-5-14-10(17)7-15-12-16-9-4-2-3-8(13)11(9)18-12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyNMNQZCXAHJJCJO-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.30
Rot. Bonds3

About 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine

7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 55171385) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID55171385
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCn1ccnc1CNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C12H11ClN4S/c1-17-6-5-14-10(17)7-15-12-16-9-4-2-3-8(13)11(9)18-12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyNMNQZCXAHJJCJO-UHFFFAOYSA-N
XLogP3.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 63239425
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 82741856
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707
2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311080
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 63295616

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 55171385) is 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine is Cn1ccnc1CNc1nc2cccc(Cl)c2s1.
What is the InChIKey of 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is NMNQZCXAHJJCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c1-17-6-5-14-10(17)7-15-12-16-9-4-2-3-8(13)11(9)18-12/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 278.77 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 55171385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).