N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

C12H21N3OS — CID 133352043

IUPACN-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)C2CCCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-15(10-6-4-3-5-7-10)12-13-11(14-17-12)8-9-16-2/h10H,3-9H2,1-2H3
InChIKeyPXUDOLCQSFJUDI-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.50
Rot. Bonds5

About N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine

N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133352043) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133352043
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(N(C)C2CCCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-15(10-6-4-3-5-7-10)12-13-11(14-17-12)8-9-16-2/h10H,3-9H2,1-2H3
InChIKeyPXUDOLCQSFJUDI-UHFFFAOYSA-N
XLogP2.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 133352043) is N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is COCCc1nsc(N(C)C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PXUDOLCQSFJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15(10-6-4-3-5-7-10)12-13-11(14-17-12)8-9-16-2/h10H,3-9H2,1-2H3.
What are the key properties of N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).