N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C16H25N7OS — CID 31125667

IUPACN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)N2CCC(Cn3cccn3)CC2)s1
InChIInChI=1S/C16H25N7OS/c1-21(2)9-6-14-19-20-15(25-14)18-16(24)22-10-4-13(5-11-22)12-23-8-3-7-17-23/h3,7-8,13H,4-6,9-12H2,1-2H3,(H,18,20,24)
InChIKeyIFCKYVACAYPARD-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.78
Rot. Bonds6

About N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 31125667) has the molecular formula C16H25N7OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID31125667
Molecular FormulaC16H25N7OS
Molecular Weight363.49 g/mol
Exact Mass363.18
IUPAC NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)N2CCC(Cn3cccn3)CC2)s1
InChIInChI=1S/C16H25N7OS/c1-21(2)9-6-14-19-20-15(25-14)18-16(24)22-10-4-13(5-11-22)12-23-8-3-7-17-23/h3,7-8,13H,4-6,9-12H2,1-2H3,(H,18,20,24)
InChIKeyIFCKYVACAYPARD-UHFFFAOYSA-N
XLogP1.78
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 31125667) is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is CN(C)CCc1nnc(NC(=O)N2CCC(Cn3cccn3)CC2)s1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is IFCKYVACAYPARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7OS/c1-21(2)9-6-14-19-20-15(25-14)18-16(24)22-10-4-13(5-11-22)12-23-8-3-7-17-23/h3,7-8,13H,4-6,9-12H2,1-2H3,(H,18,20,24).
What are the key properties of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 31125667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).