N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine

C18H22FN3S — CID 25196713

IUPACN-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine
SMILESCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22FN3S/c1-2-13-10-23-18(21-13)16-8-11-7-12(19)9-15(17(11)22-16)20-14-5-3-4-6-14/h7-9,13-14,20,22H,2-6,10H2,1H3/t13-/m1/s1
InChIKeyHITNKURYAPPPFL-CYBMUJFWSA-N
MW331.46 g/mol
LogP4.93
Rot. Bonds4

About N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine

N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine (PubChem CID 25196713) has the molecular formula C18H22FN3S and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine
PubChem CID25196713
Molecular FormulaC18H22FN3S
Molecular Weight331.46 g/mol
Exact Mass331.15
IUPAC NameN-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine
SMILESCC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCCC4)c3[nH]2)=N1
InChIInChI=1S/C18H22FN3S/c1-2-13-10-23-18(21-13)16-8-11-7-12(19)9-15(17(11)22-16)20-14-5-3-4-6-14/h7-9,13-14,20,22H,2-6,10H2,1H3/t13-/m1/s1
InChIKeyHITNKURYAPPPFL-CYBMUJFWSA-N
XLogP4.93
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine?
The IUPAC name of N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine (CID 25196713) is N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine.
What is the SMILES notation for N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine?
The canonical SMILES for N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine is CC[C@@H]1CSC(c2cc3cc(F)cc(NC4CCCC4)c3[nH]2)=N1.
What is the InChIKey of N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine?
The InChIKey is HITNKURYAPPPFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22FN3S/c1-2-13-10-23-18(21-13)16-8-11-7-12(19)9-15(17(11)22-16)20-14-5-3-4-6-14/h7-9,13-14,20,22H,2-6,10H2,1H3/t13-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine?
N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine has a molecular weight of 331.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]-5-fluoro-1H-indol-7-amine is sourced from PubChem (CID 25196713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).