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

C13H10Cl2N4S — CID 168583433

IUPAC5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline
SMILESClc1ccc(-c2ccn[nH]2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C13H10Cl2N4S/c14-8-1-2-10(11-3-4-18-19-11)12(5-8)16-6-9-7-17-13(15)20-9/h1-5,7,16H,6H2,(H,18,19)
InChIKeyPVKSKABDRHDFKG-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.45
Rot. Bonds4

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

5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline (PubChem CID 168583433) has the molecular formula C13H10Cl2N4S and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline
PubChem CID168583433
Molecular FormulaC13H10Cl2N4S
Molecular Weight325.22 g/mol
Exact Mass324.00
IUPAC Name5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline
SMILESClc1ccc(-c2ccn[nH]2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C13H10Cl2N4S/c14-8-1-2-10(11-3-4-18-19-11)12(5-8)16-6-9-7-17-13(15)20-9/h1-5,7,16H,6H2,(H,18,19)
InChIKeyPVKSKABDRHDFKG-UHFFFAOYSA-N
XLogP4.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
[5-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-phenylmethanone
CID 168580354
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168581614
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
5-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 168582775
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,4-difluoro-3-(trifluoromethyl)aniline
CID 168580126
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-ethyl-4-iodoaniline
CID 168584467
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
CID 168584069
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,6-difluoroaniline
CID 168583939
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
2-(1,3-benzothiazol-2-ylsulfanyl)-5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168580486

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline?
The IUPAC name of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline (CID 168583433) is 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline is Clc1ccc(-c2ccn[nH]2)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline?
The InChIKey is PVKSKABDRHDFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4S/c14-8-1-2-10(11-3-4-18-19-11)12(5-8)16-6-9-7-17-13(15)20-9/h1-5,7,16H,6H2,(H,18,19).
What are the key properties of 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline?
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline has a molecular weight of 325.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 168583433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).