4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline

C13H12N4S — CID 62759823

IUPAC4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESc1cc(-c2ccc(NCc3cncs3)cc2)[nH]n1
InChIInChI=1S/C13H12N4S/c1-3-11(15-8-12-7-14-9-18-12)4-2-10(1)13-5-6-16-17-13/h1-7,9,15H,8H2,(H,16,17)
InChIKeyRQPCWEUXLADMKY-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.15
Rot. Bonds4

About 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline

4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62759823) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62759823
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESc1cc(-c2ccc(NCc3cncs3)cc2)[nH]n1
InChIInChI=1S/C13H12N4S/c1-3-11(15-8-12-7-14-9-18-12)4-2-10(1)13-5-6-16-17-13/h1-7,9,15H,8H2,(H,16,17)
InChIKeyRQPCWEUXLADMKY-UHFFFAOYSA-N
XLogP3.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)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

4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257
N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 66130745
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329569
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337
4-(2-chloroethyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 112644372
4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]benzonitrile
CID 60965226
5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
CID 55110337
1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one
CID 55110051
N-[(3-bromophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733262
N-[(3-chloro-5-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 114452531
4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759433

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62759823) is 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline is c1cc(-c2ccc(NCc3cncs3)cc2)[nH]n1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is RQPCWEUXLADMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-3-11(15-8-12-7-14-9-18-12)4-2-10(1)13-5-6-16-17-13/h1-7,9,15H,8H2,(H,16,17).
What are the key properties of 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline?
4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 256.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62759823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).