N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine

C13H20N2OS — CID 114244655

IUPACN-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine
SMILESCC(C)Nc1nc2c(s1)CCC21CCOCC1
InChIInChI=1S/C13H20N2OS/c1-9(2)14-12-15-11-10(17-12)3-4-13(11)5-7-16-8-6-13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyWKKJIHVPYWEQNT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.96
Rot. Bonds2

About N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine

N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine (PubChem CID 114244655) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine.

Molecular Properties

Compound NameN-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine
PubChem CID114244655
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine
SMILESCC(C)Nc1nc2c(s1)CCC21CCOCC1
InChIInChI=1S/C13H20N2OS/c1-9(2)14-12-15-11-10(17-12)3-4-13(11)5-7-16-8-6-13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyWKKJIHVPYWEQNT-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)morpholine
CID 122153083
1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}-3-[(2R,3R)-2-methyloxolan-3-yl]urea
CID 128859240
4-methyl-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046855
N-(2-methoxyethyl)-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046962
4,4-Dimethyl-2-piperazin-1-yl-5,6-dihydrocyclopenta[d][1,3]thiazole
CID 79856758
N-ethyl-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864011
4,4-dimethyl-N-propyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864103
4,4-dimethyl-N-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864196
N-cyclopropyl-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864197
4,4-dimethyl-N-(2-methylpropyl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864376
N-(2-methoxyethyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 79864466
ethyl 2-(oxan-4-ylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 104288000

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine?
The IUPAC name of N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine (CID 114244655) is N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine.
What is the SMILES notation for N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine?
The canonical SMILES for N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine is CC(C)Nc1nc2c(s1)CCC21CCOCC1.
What is the InChIKey of N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine?
The InChIKey is WKKJIHVPYWEQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)14-12-15-11-10(17-12)3-4-13(11)5-7-16-8-6-13/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine?
N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine has a molecular weight of 252.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,4'-oxane]-2-amine is sourced from PubChem (CID 114244655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).