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

C14H17FN2S — CID 61333244

IUPACN-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN2S/c1-9(2)16-13(14-17-10(3)8-18-14)11-5-4-6-12(15)7-11/h4-9,13,16H,1-3H3
InChIKeyKUGXQIHNQMWANZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.68
Rot. Bonds4

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

N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61333244) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61333244
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2cccc(F)c2)n1
InChIInChI=1S/C14H17FN2S/c1-9(2)16-13(14-17-10(3)8-18-14)11-5-4-6-12(15)7-11/h4-9,13,16H,1-3H3
InChIKeyKUGXQIHNQMWANZ-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335982
N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334813
N-[(3-bromo-4-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 105402371
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
CID 61333653
N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 61334029
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66156268
N-[(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 106531783
N-[(6-methoxy-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114937738
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 61334863
(1S)-1-(3-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81365467

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61333244) is N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1csc(C(NC(C)C)c2cccc(F)c2)n1.
What is the InChIKey of N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is KUGXQIHNQMWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9(2)16-13(14-17-10(3)8-18-14)11-5-4-6-12(15)7-11/h4-9,13,16H,1-3H3.
What are the key properties of N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61333244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).