N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

C14H14N4S — CID 54881716

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nccs2)c1)c1ccn[nH]1
InChIInChI=1S/C14H14N4S/c1-10(13-5-6-16-18-13)17-12-4-2-3-11(9-12)14-15-7-8-19-14/h2-10,17H,1H3,(H,16,18)
InChIKeyOSQAEJRPUZHQQG-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (PubChem CID 54881716) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
PubChem CID54881716
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1cccc(-c2nccs2)c1)c1ccn[nH]1
InChIInChI=1S/C14H14N4S/c1-10(13-5-6-16-18-13)17-12-4-2-3-11(9-12)14-15-7-8-19-14/h2-10,17H,1H3,(H,16,18)
InChIKeyOSQAEJRPUZHQQG-UHFFFAOYSA-N
XLogP3.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline 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

N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936544
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
CID 54881777
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648
N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 63991077
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
3-nitro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881735
N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 63453258
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 87047322
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (CID 54881716) is N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is CC(Nc1cccc(-c2nccs2)c1)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is OSQAEJRPUZHQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10(13-5-6-16-18-13)17-12-4-2-3-11(9-12)14-15-7-8-19-14/h2-10,17H,1H3,(H,16,18).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 270.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 54881716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).