N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C18H27N5O2S — CID 20889432

IUPACN-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1
InChIInChI=1S/C18H27N5O2S/c1-14(2)25-12-6-8-19-16(24)15-7-5-11-23(13-15)18-21-20-17(26-18)22-9-3-4-10-22/h3-4,9-10,14-15H,5-8,11-13H2,1-2H3,(H,19,24)
InChIKeyGBIHDGSJMLDGNZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.48
Rot. Bonds8

About N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 20889432) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID20889432
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1
InChIInChI=1S/C18H27N5O2S/c1-14(2)25-12-6-8-19-16(24)15-7-5-11-23(13-15)18-21-20-17(26-18)22-9-3-4-10-22/h3-4,9-10,14-15H,5-8,11-13H2,1-2H3,(H,19,24)
InChIKeyGBIHDGSJMLDGNZ-UHFFFAOYSA-N
XLogP2.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926481
(3S)-N-(2-morpholin-4-ylethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701570
(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 95065158
N-[(2-chlorophenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889395
(3S)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701562
(3R)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701561
N-(3-methoxypropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 22513495
N-(3,4-dimethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926428
N-(4-methoxyphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926402
N-(5-chloro-2-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926466
N-(2-ethyl-6-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926438
N-(3-ethylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20889425

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 20889432) is N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GBIHDGSJMLDGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-14(2)25-12-6-8-19-16(24)15-7-5-11-23(13-15)18-21-20-17(26-18)22-9-3-4-10-22/h3-4,9-10,14-15H,5-8,11-13H2,1-2H3,(H,19,24).
What are the key properties of N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20889432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).