N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine

C14H16N4S — CID 62357906

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1CNCc1nc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-2-18-8-7-16-13(18)9-15-10-14-17-11-5-3-4-6-12(11)19-14/h3-8,15H,2,9-10H2,1H3
InChIKeyADUUDUNYRMYMBU-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.80
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine (PubChem CID 62357906) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine
PubChem CID62357906
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine
SMILESCCn1ccnc1CNCc1nc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-2-18-8-7-16-13(18)9-15-10-14-17-11-5-3-4-6-12(11)19-14/h3-8,15H,2,9-10H2,1H3
InChIKeyADUUDUNYRMYMBU-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 62350136
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 63239425
1-(1,3-benzothiazol-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 114099950
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
N-(1,3-benzothiazol-2-ylmethyl)-3-methylpentan-2-amine
CID 43204584

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine (CID 62357906) is N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine is CCn1ccnc1CNCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine?
The InChIKey is ADUUDUNYRMYMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-18-8-7-16-13(18)9-15-10-14-17-11-5-3-4-6-12(11)19-14/h3-8,15H,2,9-10H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine has a molecular weight of 272.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(1-ethylimidazol-2-yl)methanamine is sourced from PubChem (CID 62357906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).