N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C14H20N6OS — CID 86789916

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CCCCC2c2cn[nH]c2)s1
InChIInChI=1S/C14H20N6OS/c1-2-5-12-18-19-13(22-12)17-14(21)20-7-4-3-6-11(20)10-8-15-16-9-10/h8-9,11H,2-7H2,1H3,(H,15,16)(H,17,19,21)
InChIKeyRMUOSLQWYNFQFU-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.97
Rot. Bonds4

About N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 86789916) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID86789916
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CCCCC2c2cn[nH]c2)s1
InChIInChI=1S/C14H20N6OS/c1-2-5-12-18-19-13(22-12)17-14(21)20-7-4-3-6-11(20)10-8-15-16-9-10/h8-9,11H,2-7H2,1H3,(H,15,16)(H,17,19,21)
InChIKeyRMUOSLQWYNFQFU-UHFFFAOYSA-N
XLogP2.97
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 86789916) is N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is CCCc1nnc(NC(=O)N2CCCCC2c2cn[nH]c2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is RMUOSLQWYNFQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-2-5-12-18-19-13(22-12)17-14(21)20-7-4-3-6-11(20)10-8-15-16-9-10/h8-9,11H,2-7H2,1H3,(H,15,16)(H,17,19,21).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86789916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).