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

C13H22N4OS — CID 106626701

IUPAC4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H22N4OS/c1-9(2)17(8-11-6-4-5-7-14-11)13(18)12-10(3)15-16-19-12/h9,11,14H,4-8H2,1-3H3
InChIKeyUWYLJXUATMIULG-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.84
Rot. Bonds4

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

4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 106626701) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
PubChem CID106626701
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H22N4OS/c1-9(2)17(8-11-6-4-5-7-14-11)13(18)12-10(3)15-16-19-12/h9,11,14H,4-8H2,1-3H3
InChIKeyUWYLJXUATMIULG-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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
N-cyclopropyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106599443
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
N-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 106627200
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
N-ethyl-N-(piperidin-2-ylmethyl)-4-propylthiadiazole-5-carboxamide
CID 106626170
3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide
CID 106626597

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide (CID 106626701) is 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CC1CCCCN1)C(C)C.
What is the InChIKey of 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is UWYLJXUATMIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)17(8-11-6-4-5-7-14-11)13(18)12-10(3)15-16-19-12/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 106626701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).