3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C13H15FN2S — CID 83977372

IUPAC3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(C(CN)Cc2ccccc2F)n1
InChIInChI=1S/C13H15FN2S/c1-9-8-17-13(16-9)11(7-15)6-10-4-2-3-5-12(10)14/h2-5,8,11H,6-7,15H2,1H3
InChIKeySFFURRVSQHGVAB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.88
Rot. Bonds4

About 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977372) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977372
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(C(CN)Cc2ccccc2F)n1
InChIInChI=1S/C13H15FN2S/c1-9-8-17-13(16-9)11(7-15)6-10-4-2-3-5-12(10)14/h2-5,8,11H,6-7,15H2,1H3
InChIKeySFFURRVSQHGVAB-UHFFFAOYSA-N
XLogP2.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977375
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 83977459
[1-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105206934
2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62651320
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244
1-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 114832527
N-[(2,3-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63719201
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026644

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 83977372) is 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is Cc1csc(C(CN)Cc2ccccc2F)n1.
What is the InChIKey of 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is SFFURRVSQHGVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9-8-17-13(16-9)11(7-15)6-10-4-2-3-5-12(10)14/h2-5,8,11H,6-7,15H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).