N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide

C11H18N4OS — CID 79720691

IUPACN-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1cnsn1
InChIInChI=1S/C11H18N4OS/c1-2-15(8-9-3-5-12-6-4-9)11(16)10-7-13-17-14-10/h7,9,12H,2-6,8H2,1H3
InChIKeyPWBCYORUBWNOCA-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.00
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide

N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 79720691) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID79720691
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCN(CC1CCNCC1)C(=O)c1cnsn1
InChIInChI=1S/C11H18N4OS/c1-2-15(8-9-3-5-12-6-4-9)11(16)10-7-13-17-14-10/h7,9,12H,2-6,8H2,1H3
InChIKeyPWBCYORUBWNOCA-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 79720535
N-ethyl-2,6-dihydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 107690375
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 79720319
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 79697262
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide (CID 79720691) is N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide is CCN(CC1CCNCC1)C(=O)c1cnsn1.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is PWBCYORUBWNOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-15(8-9-3-5-12-6-4-9)11(16)10-7-13-17-14-10/h7,9,12H,2-6,8H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide?
N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 79720691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).