N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine

C17H14FN3OS — CID 110453592

IUPACN-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC(c2ccco2)c2c[nH]c3ccc(F)cc23)n1
InChIInChI=1S/C17H14FN3OS/c1-10-9-23-17(20-10)21-16(15-3-2-6-22-15)13-8-19-14-5-4-11(18)7-12(13)14/h2-9,16,19H,1H3,(H,20,21)
InChIKeyPNTYKEODIHOVKZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.87
Rot. Bonds4

About N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine

N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 110453592) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID110453592
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC NameN-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC(c2ccco2)c2c[nH]c3ccc(F)cc23)n1
InChIInChI=1S/C17H14FN3OS/c1-10-9-23-17(20-10)21-16(15-3-2-6-22-15)13-8-19-14-5-4-11(18)7-12(13)14/h2-9,16,19H,1H3,(H,20,21)
InChIKeyPNTYKEODIHOVKZ-UHFFFAOYSA-N
XLogP4.87
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 110453592) is N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC(c2ccco2)c2c[nH]c3ccc(F)cc23)n1.
What is the InChIKey of N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is PNTYKEODIHOVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-10-9-23-17(20-10)21-16(15-3-2-6-22-15)13-8-19-14-5-4-11(18)7-12(13)14/h2-9,16,19H,1H3,(H,20,21).
What are the key properties of N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 327.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-3-yl)-(furan-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110453592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).