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

C14H17FN2S — CID 116968174

IUPAC4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
SMILESCNCCCCc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C14H17FN2S/c1-16-8-3-2-7-14-17-13(10-18-14)11-5-4-6-12(15)9-11/h4-6,9-10,16H,2-3,7-8H2,1H3
InChIKeyZSNQXCQRMGBPCX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds6

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

4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine (PubChem CID 116968174) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
PubChem CID116968174
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine
SMILESCNCCCCc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C14H17FN2S/c1-16-8-3-2-7-14-17-13(10-18-14)11-5-4-6-12(15)9-11/h4-6,9-10,16H,2-3,7-8H2,1H3
InChIKeyZSNQXCQRMGBPCX-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 116964998
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047376
N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816774
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
The IUPAC name of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine (CID 116968174) is 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
The canonical SMILES for 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine is CNCCCCc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
The InChIKey is ZSNQXCQRMGBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-16-8-3-2-7-14-17-13(10-18-14)11-5-4-6-12(15)9-11/h4-6,9-10,16H,2-3,7-8H2,1H3.
What are the key properties of 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine?
4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 116968174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).