1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine

C16H21FN2S2 — CID 66065316

IUPAC1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccc(F)cc1)Cc1csc(C)n1
InChIInChI=1S/C16H21FN2S2/c1-3-8-18-14(9-15-11-20-12(2)19-15)10-21-16-6-4-13(17)5-7-16/h4-7,11,14,18H,3,8-10H2,1-2H3
InChIKeyKPWXSHOCJIBGNJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.29
Rot. Bonds8

About 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine

1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine (PubChem CID 66065316) has the molecular formula C16H21FN2S2 and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
PubChem CID66065316
Molecular FormulaC16H21FN2S2
Molecular Weight324.49 g/mol
Exact Mass324.11
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccc(F)cc1)Cc1csc(C)n1
InChIInChI=1S/C16H21FN2S2/c1-3-8-18-14(9-15-11-20-12(2)19-15)10-21-16-6-4-13(17)5-7-16/h4-7,11,14,18H,3,8-10H2,1-2H3
InChIKeyKPWXSHOCJIBGNJ-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62798826
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
N-[1-(2-chloro-5-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105394886
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
N-[1-(5-fluoro-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 62798649

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine (CID 66065316) is 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine is CCCNC(CSc1ccc(F)cc1)Cc1csc(C)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is KPWXSHOCJIBGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S2/c1-3-8-18-14(9-15-11-20-12(2)19-15)10-21-16-6-4-13(17)5-7-16/h4-7,11,14,18H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine?
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 324.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 66065316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).