N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide

C13H22N4OS — CID 106627200

IUPACN-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C13H22N4OS/c1-9(2)11-12(19-16-15-11)13(18)17(3)8-10-6-4-5-7-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyHXGCWEGTPAPWJD-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.88
Rot. Bonds4

About N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 106627200) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID106627200
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C13H22N4OS/c1-9(2)11-12(19-16-15-11)13(18)17(3)8-10-6-4-5-7-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyHXGCWEGTPAPWJD-UHFFFAOYSA-N
XLogP1.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-2-ylmethyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 106626410
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 106626701
N-ethyl-N-(piperidin-2-ylmethyl)-4-propylthiadiazole-5-carboxamide
CID 106626170
N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106599443
N-(2-bromoethyl)-N-cyclohexyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 80658825
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627337
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
N,5-dimethyl-N-(piperidin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 106627465
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 106627200) is N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N(C)CC1CCCCN1.
What is the InChIKey of N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is HXGCWEGTPAPWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)11-12(19-16-15-11)13(18)17(3)8-10-6-4-5-7-14-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 106627200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).