1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

C14H16N4S — CID 54896322

IUPAC1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-9-11(8-16-18-9)7-15-10(2)14-17-12-5-3-4-6-13(12)19-14/h3-6,8,10,15H,7H2,1-2H3,(H,16,18)
InChIKeyRTYDKSMUZOGKDM-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.18
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 54896322) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID54896322
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)c1nc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-9-11(8-16-18-9)7-15-10(2)14-17-12-5-3-4-6-13(12)19-14/h3-6,8,10,15H,7H2,1-2H3,(H,16,18)
InChIKeyRTYDKSMUZOGKDM-UHFFFAOYSA-N
XLogP3.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62041087
1-(1,3-benzothiazol-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846238
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091936
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
1-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232248
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
1-(1,3-benzothiazol-2-yl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 60671755
1-(1,3-benzothiazol-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895025
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol
CID 61004067
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
(1R)-1-(3-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81369930

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 54896322) is 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1[nH]ncc1CNC(C)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is RTYDKSMUZOGKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-11(8-16-18-9)7-15-10(2)14-17-12-5-3-4-6-13(12)19-14/h3-6,8,10,15H,7H2,1-2H3,(H,16,18).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 272.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 54896322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).