2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C11H18N4OS — CID 22200514

IUPAC2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C1CCCCC1
InChIInChI=1S/C11H18N4OS/c1-15(9-5-3-2-4-6-9)7-10(16)13-11-14-12-8-17-11/h8-9H,2-7H2,1H3,(H,13,14,16)
InChIKeyQHBBQPWXOLTTRX-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.74
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 22200514) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID22200514
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C1CCCCC1
InChIInChI=1S/C11H18N4OS/c1-15(9-5-3-2-4-6-9)7-10(16)13-11-14-12-8-17-11/h8-9H,2-7H2,1H3,(H,13,14,16)
InChIKeyQHBBQPWXOLTTRX-UHFFFAOYSA-N
XLogP1.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 22200514) is 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QHBBQPWXOLTTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15(9-5-3-2-4-6-9)7-10(16)13-11-14-12-8-17-11/h8-9H,2-7H2,1H3,(H,13,14,16).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 254.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 22200514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).