N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H21FN2S2 — CID 66053489

IUPACN-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(CSc2ccccc2F)nc1C
InChIInChI=1S/C16H21FN2S2/c1-4-9-18-11(2)16-12(3)19-15(21-16)10-20-14-8-6-5-7-13(14)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyRIHDBUFEPPPPCG-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.94
Rot. Bonds7

About N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 66053489) has the molecular formula C16H21FN2S2 and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID66053489
Molecular FormulaC16H21FN2S2
Molecular Weight324.49 g/mol
Exact Mass324.11
IUPAC NameN-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(CSc2ccccc2F)nc1C
InChIInChI=1S/C16H21FN2S2/c1-4-9-18-11(2)16-12(3)19-15(21-16)10-20-14-8-6-5-7-13(14)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyRIHDBUFEPPPPCG-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 66053489) is N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(CSc2ccccc2F)nc1C.
What is the InChIKey of N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is RIHDBUFEPPPPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S2/c1-4-9-18-11(2)16-12(3)19-15(21-16)10-20-14-8-6-5-7-13(14)17/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 324.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 66053489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).