(3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone

C19H24FN3OS2 — CID 155877566

IUPAC(3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1nc(CN2CCCC3(CCCN(C(=O)c4sccc4F)C3)C2)cs1
InChIInChI=1S/C19H24FN3OS2/c1-14-21-15(11-26-14)10-22-7-2-5-19(12-22)6-3-8-23(13-19)18(24)17-16(20)4-9-25-17/h4,9,11H,2-3,5-8,10,12-13H2,1H3
InChIKeyWRSXBNXZLQIYDM-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.17
Rot. Bonds3

About (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone

(3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 155877566) has the molecular formula C19H24FN3OS2 and a molecular weight of 393.55 g/mol. Its IUPAC name is (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID155877566
Molecular FormulaC19H24FN3OS2
Molecular Weight393.55 g/mol
Exact Mass393.13
IUPAC Name(3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1nc(CN2CCCC3(CCCN(C(=O)c4sccc4F)C3)C2)cs1
InChIInChI=1S/C19H24FN3OS2/c1-14-21-15(11-26-14)10-22-7-2-5-19(12-22)6-3-8-23(13-19)18(24)17-16(20)4-9-25-17/h4,9,11H,2-3,5-8,10,12-13H2,1H3
InChIKeyWRSXBNXZLQIYDM-UHFFFAOYSA-N
XLogP4.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone (CID 155877566) is (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone is Cc1nc(CN2CCCC3(CCCN(C(=O)c4sccc4F)C3)C2)cs1.
What is the InChIKey of (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is WRSXBNXZLQIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS2/c1-14-21-15(11-26-14)10-22-7-2-5-19(12-22)6-3-8-23(13-19)18(24)17-16(20)4-9-25-17/h4,9,11H,2-3,5-8,10,12-13H2,1H3.
What are the key properties of (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
(3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 393.55 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiophen-2-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 155877566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).