4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine

C13H23N3OS — CID 62193553

IUPAC4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CCC(C(C)C)C(OCc2nnsc2N)C1
InChIInChI=1S/C13H23N3OS/c1-8(2)10-5-4-9(3)6-12(10)17-7-11-13(14)18-16-15-11/h8-10,12H,4-7,14H2,1-3H3
InChIKeyRSRFASKCEXCKJY-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.10
Rot. Bonds4

About 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine

4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine (PubChem CID 62193553) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine
PubChem CID62193553
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine
SMILESCC1CCC(C(C)C)C(OCc2nnsc2N)C1
InChIInChI=1S/C13H23N3OS/c1-8(2)10-5-4-9(3)6-12(10)17-7-11-13(14)18-16-15-11/h8-10,12H,4-7,14H2,1-3H3
InChIKeyRSRFASKCEXCKJY-UHFFFAOYSA-N
XLogP3.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine (CID 62193553) is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine is CC1CCC(C(C)C)C(OCc2nnsc2N)C1.
What is the InChIKey of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine?
The InChIKey is RSRFASKCEXCKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(2)10-5-4-9(3)6-12(10)17-7-11-13(14)18-16-15-11/h8-10,12H,4-7,14H2,1-3H3.
What are the key properties of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine?
4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine has a molecular weight of 269.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]thiadiazol-5-amine is sourced from PubChem (CID 62193553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).