N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide

C12H20N4OS — CID 47341065

IUPACN-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cnns2)CC1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)16-6-4-9(5-7-16)14-11(17)10-8-13-15-18-10/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyCMSYDAKZPNDMDQ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.53
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide

N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide (PubChem CID 47341065) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide
PubChem CID47341065
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cnns2)CC1
InChIInChI=1S/C12H20N4OS/c1-12(2,3)16-6-4-9(5-7-16)14-11(17)10-8-13-15-18-10/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyCMSYDAKZPNDMDQ-UHFFFAOYSA-N
XLogP1.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide (CID 47341065) is N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide is CC(C)(C)N1CCC(NC(=O)c2cnns2)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide?
The InChIKey is CMSYDAKZPNDMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2,3)16-6-4-9(5-7-16)14-11(17)10-8-13-15-18-10/h8-9H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide?
N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47341065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).