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

C11H10ClFN2S — CID 168579588

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-4-8(13)2-3-10(7)14-5-9-6-15-11(12)16-9/h2-4,6,14H,5H2,1H3
InChIKeyCFSPIIVWANKYFY-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.86
Rot. Bonds3

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline (PubChem CID 168579588) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
PubChem CID168579588
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-4-8(13)2-3-10(7)14-5-9-6-15-11(12)16-9/h2-4,6,14H,5H2,1H3
InChIKeyCFSPIIVWANKYFY-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
CID 168579813
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
CID 168581737
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline
CID 168579906
[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenyl]-phenylmethanone
CID 168580202
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-chloro-4-fluoroaniline
CID 63120671
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-diethyl-3-methylbenzamide
CID 168579788
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 168583886

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline (CID 168579588) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline is Cc1cc(F)ccc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline?
The InChIKey is CFSPIIVWANKYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-7-4-8(13)2-3-10(7)14-5-9-6-15-11(12)16-9/h2-4,6,14H,5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline has a molecular weight of 256.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline is sourced from PubChem (CID 168579588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).