5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine

C14H21N3OS — CID 133383760

IUPAC5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine
SMILESC1CCC2(C1)CC(Nc1nnc(C3CC3)s1)CCO2
InChIInChI=1S/C14H21N3OS/c1-2-7-14(6-1)9-11(5-8-18-14)15-13-17-16-12(19-13)10-3-4-10/h10-11H,1-9H2,(H,15,17)
InChIKeyBZDLHDXLRFREQB-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.32
Rot. Bonds3

About 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 133383760) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine
PubChem CID133383760
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine
SMILESC1CCC2(C1)CC(Nc1nnc(C3CC3)s1)CCO2
InChIInChI=1S/C14H21N3OS/c1-2-7-14(6-1)9-11(5-8-18-14)15-13-17-16-12(19-13)10-3-4-10/h10-11H,1-9H2,(H,15,17)
InChIKeyBZDLHDXLRFREQB-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
CID 79903550
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
6-methylsulfanyl-N-(6-oxaspiro[4.5]decan-9-yl)pyridazin-3-amine
CID 133377821
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133494862
N-(2,5-dibromophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895723
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-benzothiazol-2-amine
CID 70778453
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine (CID 133383760) is 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine is C1CCC2(C1)CC(Nc1nnc(C3CC3)s1)CCO2.
What is the InChIKey of 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BZDLHDXLRFREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-7-14(6-1)9-11(5-8-18-14)15-13-17-16-12(19-13)10-3-4-10/h10-11H,1-9H2,(H,15,17).
What are the key properties of 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133383760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).