N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine

C14H14N4OS — CID 78818873

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCCc2nc3ccccc3s2)n1
InChIInChI=1S/C14H14N4OS/c1-19-12-6-8-15-14(18-12)16-9-7-13-17-10-4-2-3-5-11(10)20-13/h2-6,8H,7,9H2,1H3,(H,15,16,18)
InChIKeyDREFTXWRSPPNAZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine

N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine (PubChem CID 78818873) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
PubChem CID78818873
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCCc2nc3ccccc3s2)n1
InChIInChI=1S/C14H14N4OS/c1-19-12-6-8-15-14(18-12)16-9-7-13-17-10-4-2-3-5-11(10)20-13/h2-6,8H,7,9H2,1H3,(H,15,16,18)
InChIKeyDREFTXWRSPPNAZ-UHFFFAOYSA-N
XLogP2.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
CID 133415324
2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372427
2-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 28656150
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133426341
4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115628502
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine (CID 78818873) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCCc2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
The InChIKey is DREFTXWRSPPNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-19-12-6-8-15-14(18-12)16-9-7-13-17-10-4-2-3-5-11(10)20-13/h2-6,8H,7,9H2,1H3,(H,15,16,18).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine has a molecular weight of 286.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 78818873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).