2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine

C13H21N3OS — CID 122138818

IUPAC2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOC(C3CCCCC3)C2)s1
InChIInChI=1S/C13H21N3OS/c1-10-14-15-13(18-10)16-7-8-17-12(9-16)11-5-3-2-4-6-11/h11-12H,2-9H2,1H3
InChIKeyPCGNFTIXGOTAOA-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.63
Rot. Bonds2

About 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine

2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 122138818) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID122138818
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOC(C3CCCCC3)C2)s1
InChIInChI=1S/C13H21N3OS/c1-10-14-15-13(18-10)16-7-8-17-12(9-16)11-5-3-2-4-6-11/h11-12H,2-9H2,1H3
InChIKeyPCGNFTIXGOTAOA-UHFFFAOYSA-N
XLogP2.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (CID 122138818) is 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is Cc1nnc(N2CCOC(C3CCCCC3)C2)s1.
What is the InChIKey of 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is PCGNFTIXGOTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-14-15-13(18-10)16-7-8-17-12(9-16)11-5-3-2-4-6-11/h11-12H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 267.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 122138818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).