4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline

C13H15FN2S — CID 167952080

IUPAC4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline
SMILESCc1cnsc1CNc1ccc(CCF)cc1
InChIInChI=1S/C13H15FN2S/c1-10-8-16-17-13(10)9-15-12-4-2-11(3-5-12)6-7-14/h2-5,8,15H,6-7,9H2,1H3
InChIKeyZMARGHNTVSYGQV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.58
Rot. Bonds5

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

4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline (PubChem CID 167952080) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline
PubChem CID167952080
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline
SMILESCc1cnsc1CNc1ccc(CCF)cc1
InChIInChI=1S/C13H15FN2S/c1-10-8-16-17-13(10)9-15-12-4-2-11(3-5-12)6-7-14/h2-5,8,15H,6-7,9H2,1H3
InChIKeyZMARGHNTVSYGQV-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-(4-iodo-2-methylphenyl)-6-(1,2-thiazol-5-yl)aniline
CID 140449319
2,3,4-trifluoro-N-(4-iodo-2-methylphenyl)-6-(1,2-thiazol-5-yl)aniline
CID 140449321
7-fluoro-N-methyl-1,2-benzothiazol-6-amine
CID 167245097
N-[(2,4-difluorophenyl)methyl]-1,2-thiazole-5-carbothioamide
CID 174867649
4,5-Dimethyl-2-(4-methylphenyl)-1,2-thiazol-2-ium perchlorate
CID 86200400
4-[5-(4-Fluorophenyl)-1,2-thiazol-4-yl]aniline
CID 49875475
N-[[3-(4-fluorophenyl)-1,2-thiazol-5-yl]methyl]propan-1-amine
CID 65814130
N-[[3-(2-fluorophenyl)-1,2-thiazol-5-yl]methyl]propan-1-amine
CID 65814329
N-[[3-(2,4-difluorophenyl)-1,2-thiazol-5-yl]methyl]ethanamine
CID 65814510
N-[[3-(3-fluorophenyl)-1,2-thiazol-5-yl]methyl]ethanamine
CID 65814511
N-[[3-(3-fluorophenyl)-1,2-thiazol-5-yl]methyl]propan-2-amine
CID 65815102
N-[[3-(4-fluorophenyl)-1,2-thiazol-5-yl]methyl]ethanamine
CID 65815291

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline (CID 167952080) is 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline is Cc1cnsc1CNc1ccc(CCF)cc1.
What is the InChIKey of 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline?
The InChIKey is ZMARGHNTVSYGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-10-8-16-17-13(10)9-15-12-4-2-11(3-5-12)6-7-14/h2-5,8,15H,6-7,9H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline?
4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 167952080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).