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

C15H18N4OS — CID 43729065

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2nc3ccccc3s2)cn1
InChIInChI=1S/C15H18N4OS/c1-11(15-18-13-5-3-4-6-14(13)21-15)17-12-9-16-19(10-12)7-8-20-2/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyGOQBRCGFXQYLRB-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.31
Rot. Bonds6

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

N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43729065) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43729065
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2nc3ccccc3s2)cn1
InChIInChI=1S/C15H18N4OS/c1-11(15-18-13-5-3-4-6-14(13)21-15)17-12-9-16-19(10-12)7-8-20-2/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyGOQBRCGFXQYLRB-UHFFFAOYSA-N
XLogP3.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43729065) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NC(C)c2nc3ccccc3s2)cn1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is GOQBRCGFXQYLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11(15-18-13-5-3-4-6-14(13)21-15)17-12-9-16-19(10-12)7-8-20-2/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 302.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43729065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).