3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C7H11FN2S — CID 115732906

IUPAC3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESFCCCNCc1cscn1
InChIInChI=1S/C7H11FN2S/c8-2-1-3-9-4-7-5-11-6-10-7/h5-6,9H,1-4H2
InChIKeyNZCLQVYWCMTKRP-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.59
Rot. Bonds5

About 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 115732906) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID115732906
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESFCCCNCc1cscn1
InChIInChI=1S/C7H11FN2S/c8-2-1-3-9-4-7-5-11-6-10-7/h5-6,9H,1-4H2
InChIKeyNZCLQVYWCMTKRP-UHFFFAOYSA-N
XLogP1.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.59
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

4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634
2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
CID 79478623
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 115635490
2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
CID 20567703
4-(fluoromethyl)-1,3-thiazole
CID 76551954
1-methyl-3-[2-(1,3-thiazol-4-ylmethylamino)ethyl]thiourea
CID 20557651

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 115732906) is 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is FCCCNCc1cscn1.
What is the InChIKey of 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is NZCLQVYWCMTKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c8-2-1-3-9-4-7-5-11-6-10-7/h5-6,9H,1-4H2.
What are the key properties of 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 174.24 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 115732906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).