1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide

C12H21N5OS — CID 80606498

IUPAC1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide
SMILESCCNc1nnc(CN2CCCCC2C(=O)NC)s1
InChIInChI=1S/C12H21N5OS/c1-3-14-12-16-15-10(19-12)8-17-7-5-4-6-9(17)11(18)13-2/h9H,3-8H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyVBZPYSXHKJOMJY-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.07
Rot. Bonds5

About 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 80606498) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide
PubChem CID80606498
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide
SMILESCCNc1nnc(CN2CCCCC2C(=O)NC)s1
InChIInChI=1S/C12H21N5OS/c1-3-14-12-16-15-10(19-12)8-17-7-5-4-6-9(17)11(18)13-2/h9H,3-8H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyVBZPYSXHKJOMJY-UHFFFAOYSA-N
XLogP1.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide (CID 80606498) is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide is CCNc1nnc(CN2CCCCC2C(=O)NC)s1.
What is the InChIKey of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is VBZPYSXHKJOMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-14-12-16-15-10(19-12)8-17-7-5-4-6-9(17)11(18)13-2/h9H,3-8H2,1-2H3,(H,13,18)(H,14,16).
What are the key properties of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide?
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80606498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).