2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide

C12H20N4OS — CID 133430381

IUPAC2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)c1nsc(NC2CCCCC2C(N)=O)n1
InChIInChI=1S/C12H20N4OS/c1-7(2)11-15-12(18-16-11)14-9-6-4-3-5-8(9)10(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyUCQDRLRECGBVID-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.12
Rot. Bonds4

About 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide

2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide (PubChem CID 133430381) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
PubChem CID133430381
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide
SMILESCC(C)c1nsc(NC2CCCCC2C(N)=O)n1
InChIInChI=1S/C12H20N4OS/c1-7(2)11-15-12(18-16-11)14-9-6-4-3-5-8(9)10(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyUCQDRLRECGBVID-UHFFFAOYSA-N
XLogP2.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide (CID 133430381) is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide is CC(C)c1nsc(NC2CCCCC2C(N)=O)n1.
What is the InChIKey of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is UCQDRLRECGBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-7(2)11-15-12(18-16-11)14-9-6-4-3-5-8(9)10(13)17/h7-9H,3-6H2,1-2H3,(H2,13,17)(H,14,15,16).
What are the key properties of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide?
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 133430381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).