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

C12H12N4S — CID 63239425

IUPACN-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCn1ccnc1CNc1nc2ccccc2s1
InChIInChI=1S/C12H12N4S/c1-16-7-6-13-11(16)8-14-12-15-9-4-2-3-5-10(9)17-12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyRKMQCQPGNYTZQF-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.64
Rot. Bonds3

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

N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 63239425) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID63239425
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCn1ccnc1CNc1nc2ccccc2s1
InChIInChI=1S/C12H12N4S/c1-16-7-6-13-11(16)8-14-12-15-9-4-2-3-5-10(9)17-12/h2-7H,8H2,1H3,(H,14,15)
InChIKeyRKMQCQPGNYTZQF-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 55171385
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
3-[(1,3-benzothiazol-2-ylamino)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 166356504
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
N-[(4-aminopyrimidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 133367223
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142595
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 47283149
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 1090335
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 63239425) is N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine is Cn1ccnc1CNc1nc2ccccc2s1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is RKMQCQPGNYTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-16-7-6-13-11(16)8-14-12-15-9-4-2-3-5-10(9)17-12/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63239425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).