N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C17H19N5OS — CID 128962696

IUPACN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(CC(c1ccsc1)n1cccc1)Nc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C17H19N5OS/c23-15(18-17-19-16(20-21-17)12-4-3-5-12)10-14(13-6-9-24-11-13)22-7-1-2-8-22/h1-2,6-9,11-12,14H,3-5,10H2,(H2,18,19,20,21,23)
InChIKeyUCPUTUGBKGTKLF-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.55
Rot. Bonds6

About N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 128962696) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID128962696
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(CC(c1ccsc1)n1cccc1)Nc1n[nH]c(C2CCC2)n1
InChIInChI=1S/C17H19N5OS/c23-15(18-17-19-16(20-21-17)12-4-3-5-12)10-14(13-6-9-24-11-13)22-7-1-2-8-22/h1-2,6-9,11-12,14H,3-5,10H2,(H2,18,19,20,21,23)
InChIKeyUCPUTUGBKGTKLF-UHFFFAOYSA-N
XLogP3.55
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123868
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide
CID 75506471
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963509
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431879
N-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
CID 127254482
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
3-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-ylpropanamide
CID 110204742
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432180
(3S)-N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434169

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 128962696) is N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is O=C(CC(c1ccsc1)n1cccc1)Nc1n[nH]c(C2CCC2)n1.
What is the InChIKey of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is UCPUTUGBKGTKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-15(18-17-19-16(20-21-17)12-4-3-5-12)10-14(13-6-9-24-11-13)22-7-1-2-8-22/h1-2,6-9,11-12,14H,3-5,10H2,(H2,18,19,20,21,23).
What are the key properties of N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 341.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 128962696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).