N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C18H26N6OS — CID 30881963

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCCCCCc1nnc(NC(=O)N2CCN(Cc3ccncc3)CC2)s1
InChIInChI=1S/C18H26N6OS/c1-2-3-4-5-16-21-22-17(26-16)20-18(25)24-12-10-23(11-13-24)14-15-6-8-19-9-7-15/h6-9H,2-5,10-14H2,1H3,(H,20,22,25)
InChIKeyFWRRYLGCUAZAJX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.02
Rot. Bonds7

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 30881963) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID30881963
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCCCCCc1nnc(NC(=O)N2CCN(Cc3ccncc3)CC2)s1
InChIInChI=1S/C18H26N6OS/c1-2-3-4-5-16-21-22-17(26-16)20-18(25)24-12-10-23(11-13-24)14-15-6-8-19-9-7-15/h6-9H,2-5,10-14H2,1H3,(H,20,22,25)
InChIKeyFWRRYLGCUAZAJX-UHFFFAOYSA-N
XLogP3.02
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(3,5-ditert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 171093259
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 136533757
7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
CID 167854061
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
1-(4-methylbenzoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 134704833
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 30881963) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is CCCCCc1nnc(NC(=O)N2CCN(Cc3ccncc3)CC2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FWRRYLGCUAZAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-2-3-4-5-16-21-22-17(26-16)20-18(25)24-12-10-23(11-13-24)14-15-6-8-19-9-7-15/h6-9H,2-5,10-14H2,1H3,(H,20,22,25).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 30881963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).