N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

C14H17FN2OS — CID 106297877

IUPACN-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCc1cc(F)ccc1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C14H17FN2OS/c1-10-8-11(15)2-3-12(10)16-13-17-14(9-19-13)4-6-18-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,16,17)
InChIKeyKUDOEOWFASPPEY-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.20
Rot. Bonds1

About N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine

N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106297877) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106297877
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESCc1cc(F)ccc1NC1=NC2(CCOCC2)CS1
InChIInChI=1S/C14H17FN2OS/c1-10-8-11(15)2-3-12(10)16-13-17-14(9-19-13)4-6-18-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,16,17)
InChIKeyKUDOEOWFASPPEY-UHFFFAOYSA-N
XLogP3.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-(2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3614260
N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2731508
propyl N'-methyl-N-(2-methylphenyl)carbamimidothioate
CID 44390440
Benzenamine, 2-ethyl-N-(4,4-dimethylthiazolidin-2-ylidene)-
CID 616412
N-(4-fluoro-2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 18316282
(4S)-2-(4-fluoro-2-methylphenylimino)-4-isobutyl-1,3-thiazolidine
CID 57320511
2-Methylanilino-4-methyl-4-ethyl-5-methylenethiazoline
CID 129796615
4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine
CID 2798330
N-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068275
N-(5-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068276
N-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068304
4,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-amine
CID 43385090

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106297877) is N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is Cc1cc(F)ccc1NC1=NC2(CCOCC2)CS1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is KUDOEOWFASPPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-10-8-11(15)2-3-12(10)16-13-17-14(9-19-13)4-6-18-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106297877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).