(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C19H22FN3OS — CID 3234541

IUPAC(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C19H22FN3OS/c20-16-4-1-3-15(11-16)18(24)23-8-2-5-19(14-23)6-9-22(13-19)12-17-21-7-10-25-17/h1,3-4,7,10-11H,2,5-6,8-9,12-14H2/t19-/m0/s1
InChIKeyHRHJFSJDNSLQOU-IBGZPJMESA-N
MW359.47 g/mol
LogP3.41
Rot. Bonds3

About (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234541) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234541
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C19H22FN3OS/c20-16-4-1-3-15(11-16)18(24)23-8-2-5-19(14-23)6-9-22(13-19)12-17-21-7-10-25-17/h1,3-4,7,10-11H,2,5-6,8-9,12-14H2/t19-/m0/s1
InChIKeyHRHJFSJDNSLQOU-IBGZPJMESA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-Bis(trifluoromethyl)phenyl]-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234935
4-(3-(3-carbamoylphenyl)-1-(thiazol-2-ylmethyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 46190939
pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3233422
[3,5-Bis(trifluoromethyl)phenyl]-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234090
(3-Fluorophenyl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234271
[3,5-bis(trifluoromethyl)phenyl]-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234273
(3-Fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3235038
Sdccgsbi-0117378.P001
CID 24790836
(4-Methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone
CID 44535165
4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylamino)ethyl)benzamide
CID 44579234
1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 24817562
(3-Fluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697763

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234541) is (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is HRHJFSJDNSLQOU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FN3OS/c20-16-4-1-3-15(11-16)18(24)23-8-2-5-19(14-23)6-9-22(13-19)12-17-21-7-10-25-17/h1,3-4,7,10-11H,2,5-6,8-9,12-14H2/t19-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).