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

C13H10ClFN4S — CID 168584069

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
SMILESFc1ccc(-n2cccn2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C13H10ClFN4S/c14-13-17-8-10(20-13)7-16-11-6-9(15)2-3-12(11)19-5-1-4-18-19/h1-6,8,16H,7H2
InChIKeyWDEHLVFTAQSMMR-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.73
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline (PubChem CID 168584069) has the molecular formula C13H10ClFN4S and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
PubChem CID168584069
Molecular FormulaC13H10ClFN4S
Molecular Weight308.77 g/mol
Exact Mass308.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
SMILESFc1ccc(-n2cccn2)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C13H10ClFN4S/c14-13-17-8-10(20-13)7-16-11-6-9(15)2-3-12(11)19-5-1-4-18-19/h1-6,8,16H,7H2
InChIKeyWDEHLVFTAQSMMR-UHFFFAOYSA-N
XLogP3.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168582740
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]pyrazole-3-carboxylic acid
CID 168581271
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-[(2-methylpyrazol-3-yl)methoxy]aniline
CID 168583285
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-(2-thiophen-2-ylethoxy)aniline
CID 168582103
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
CID 168579813
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline
CID 75434803
[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenyl]-phenylmethanone
CID 168580202

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline (CID 168584069) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline is Fc1ccc(-n2cccn2)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline?
The InChIKey is WDEHLVFTAQSMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4S/c14-13-17-8-10(20-13)7-16-11-6-9(15)2-3-12(11)19-5-1-4-18-19/h1-6,8,16H,7H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline has a molecular weight of 308.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline is sourced from PubChem (CID 168584069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).