3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline

C10H8ClFN2S — CID 62759616

IUPAC3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFc1c(Cl)cccc1NCc1cncs1
InChIInChI=1S/C10H8ClFN2S/c11-8-2-1-3-9(10(8)12)14-5-7-4-13-6-15-7/h1-4,6,14H,5H2
InChIKeyMNPQVSPQHLPWDM-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.55
Rot. Bonds3

About 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline

3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62759616) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62759616
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFc1c(Cl)cccc1NCc1cncs1
InChIInChI=1S/C10H8ClFN2S/c11-8-2-1-3-9(10(8)12)14-5-7-4-13-6-15-7/h1-4,6,14H,5H2
InChIKeyMNPQVSPQHLPWDM-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 62759450
3-chloro-2-fluoro-N-(pyridin-4-ylmethyl)aniline
CID 28879747
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 107787698
N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
CID 62758841
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline
CID 82759642
3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877935
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 55110287
2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62759616) is 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline is Fc1c(Cl)cccc1NCc1cncs1.
What is the InChIKey of 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is MNPQVSPQHLPWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-8-2-1-3-9(10(8)12)14-5-7-4-13-6-15-7/h1-4,6,14H,5H2.
What are the key properties of 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline?
3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 242.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62759616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).