5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine

C13H20N2O2S2 — CID 79905703

IUPAC5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H20N2O2S2/c1-9-11(19-12(14)15-9)18-10-2-5-17-13(8-10)3-6-16-7-4-13/h10H,2-8H2,1H3,(H2,14,15)
InChIKeyYPGHKHGMEPXNAL-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.85
Rot. Bonds2

About 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine

5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 79905703) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID79905703
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H20N2O2S2/c1-9-11(19-12(14)15-9)18-10-2-5-17-13(8-10)3-6-16-7-4-13/h10H,2-8H2,1H3,(H2,14,15)
InChIKeyYPGHKHGMEPXNAL-UHFFFAOYSA-N
XLogP2.85
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine
CID 63934809
4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine
CID 63558955
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyrimidine-4,6-diamine
CID 79905350
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-5-methylaniline
CID 79906435
1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79905784
6-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)pyridin-3-amine
CID 79905560
2-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methoxyaniline
CID 79902891
3-(2,6-dioxaspiro[4.5]decan-9-ylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 79906433
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-3-fluoroaniline
CID 79906293
[5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630436
2-methyl-3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)aniline
CID 79906014
4-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)phenol
CID 79911996

Frequently Asked Questions

What is the IUPAC name of 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine (CID 79905703) is 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SC1CCOC2(CCOCC2)C1.
What is the InChIKey of 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YPGHKHGMEPXNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-9-11(19-12(14)15-9)18-10-2-5-17-13(8-10)3-6-16-7-4-13/h10H,2-8H2,1H3,(H2,14,15).
What are the key properties of 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 300.45 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79905703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).