4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole

C18H17FN2S — CID 143251676

IUPAC4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole
SMILESCN1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1
InChIInChI=1S/C18H17FN2S/c1-21-10-4-7-17(21)18-20-16(11-22-18)14-8-9-15(19)13-6-3-2-5-12(13)14/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3/t17-/m0/s1
InChIKeyKPGDBWYMIMDOOA-KRWDZBQOSA-N
MW312.41 g/mol
LogP4.87
Rot. Bonds2

About 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole

4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole (PubChem CID 143251676) has the molecular formula C18H17FN2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole
PubChem CID143251676
Molecular FormulaC18H17FN2S
Molecular Weight312.41 g/mol
Exact Mass312.11
IUPAC Name4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole
SMILESCN1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1
InChIInChI=1S/C18H17FN2S/c1-21-10-4-7-17(21)18-20-16(11-22-18)14-8-9-15(19)13-6-3-2-5-12(13)14/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3/t17-/m0/s1
InChIKeyKPGDBWYMIMDOOA-KRWDZBQOSA-N
XLogP4.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole (CID 143251676) is 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole is CN1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1.
What is the InChIKey of 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is KPGDBWYMIMDOOA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17FN2S/c1-21-10-4-7-17(21)18-20-16(11-22-18)14-8-9-15(19)13-6-3-2-5-12(13)14/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3/t17-/m0/s1.
What are the key properties of 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole?
4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 312.41 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoronaphthalen-1-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 143251676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).