N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C18H26N6OS — CID 3224249

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C(C)(C)C)s3)C2)n1
InChIInChI=1S/C18H26N6OS/c1-11-9-12(2)20-16(19-11)24-8-6-7-13(10-24)14(25)21-17-23-22-15(26-17)18(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,21,23,25)
InChIKeyGMTAAQHVUAFFSK-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.10
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3224249) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3224249
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C(C)(C)C)s3)C2)n1
InChIInChI=1S/C18H26N6OS/c1-11-9-12(2)20-16(19-11)24-8-6-7-13(10-24)14(25)21-17-23-22-15(26-17)18(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,21,23,25)
InChIKeyGMTAAQHVUAFFSK-UHFFFAOYSA-N
XLogP3.10
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 645677
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 653906
4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-4-oxo-butyramide
CID 1413518
1-(4-Methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 651136
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 646796
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 649062
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 649102
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 656187
4-(4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1399900
4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-N-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-4-oxo-butyramide
CID 1416624
1-(4,6-Dimethylpyrimidin-2-YL)-N-(5-isopropyl-1H-1,2,4-triazol-3-YL)piperidine-3-carboxamide
CID 71707579
1-(4,6-dimethylpyrimidin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 3224248

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3224249) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C(C)(C)C)s3)C2)n1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is GMTAAQHVUAFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-11-9-12(2)20-16(19-11)24-8-6-7-13(10-24)14(25)21-17-23-22-15(26-17)18(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,21,23,25).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.10, 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-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3224249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).