4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline

C14H12Cl2N4S — CID 168581843

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
SMILESClc1cnn(Cc2ccc(NCc3cnc(Cl)s3)cc2)c1
InChIInChI=1S/C14H12Cl2N4S/c15-11-5-19-20(9-11)8-10-1-3-12(4-2-10)17-6-13-7-18-14(16)21-13/h1-5,7,9,17H,6,8H2
InChIKeyGRQUQNLVKASOCJ-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.31
Rot. Bonds5

About 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline

4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 168581843) has the molecular formula C14H12Cl2N4S and a molecular weight of 339.25 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
PubChem CID168581843
Molecular FormulaC14H12Cl2N4S
Molecular Weight339.25 g/mol
Exact Mass338.02
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
SMILESClc1cnn(Cc2ccc(NCc3cnc(Cl)s3)cc2)c1
InChIInChI=1S/C14H12Cl2N4S/c15-11-5-19-20(9-11)8-10-1-3-12(4-2-10)17-6-13-7-18-14(16)21-13/h1-5,7,9,17H,6,8H2
InChIKeyGRQUQNLVKASOCJ-UHFFFAOYSA-N
XLogP4.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 79765764
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60937882
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
4-[4-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperazin-1-yl]phenol
CID 168580131
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethoxy)aniline
CID 168583829
5-[(4-chloropyrazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62194518
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide
CID 168583840

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline (CID 168581843) is 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline is Clc1cnn(Cc2ccc(NCc3cnc(Cl)s3)cc2)c1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is GRQUQNLVKASOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4S/c15-11-5-19-20(9-11)8-10-1-3-12(4-2-10)17-6-13-7-18-14(16)21-13/h1-5,7,9,17H,6,8H2.
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline?
4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 339.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 168581843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).