N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C16H22N6OS — CID 647411

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C16H22N6OS/c1-16(2,3)13-20-21-15(24-13)19-12(23)11-5-9-22(10-6-11)14-17-7-4-8-18-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,19,21,23)
InChIKeyBWBRYNGLTCOQQH-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.48
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 647411) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID647411
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C16H22N6OS/c1-16(2,3)13-20-21-15(24-13)19-12(23)11-5-9-22(10-6-11)14-17-7-4-8-18-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,19,21,23)
InChIKeyBWBRYNGLTCOQQH-UHFFFAOYSA-N
XLogP2.48
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 647411) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is CC(C)(C)c1nnc(NC(=O)C2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is BWBRYNGLTCOQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-16(2,3)13-20-21-15(24-13)19-12(23)11-5-9-22(10-6-11)14-17-7-4-8-18-14/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,19,21,23).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 647411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).