N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide

C16H18N6OS — CID 91796672

IUPACN-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
SMILESCn1c(Cn2ccnc2)nnc1C1CC(NC(=O)c2ccsc2)C1
InChIInChI=1S/C16H18N6OS/c1-21-14(8-22-4-3-17-10-22)19-20-15(21)12-6-13(7-12)18-16(23)11-2-5-24-9-11/h2-5,9-10,12-13H,6-8H2,1H3,(H,18,23)
InChIKeyLCTMRODCELZLTN-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.80
Rot. Bonds5

About N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide

N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide (PubChem CID 91796672) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
PubChem CID91796672
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
SMILESCn1c(Cn2ccnc2)nnc1C1CC(NC(=O)c2ccsc2)C1
InChIInChI=1S/C16H18N6OS/c1-21-14(8-22-4-3-17-10-22)19-20-15(21)12-6-13(7-12)18-16(23)11-2-5-24-9-11/h2-5,9-10,12-13H,6-8H2,1H3,(H,18,23)
InChIKeyLCTMRODCELZLTN-UHFFFAOYSA-N
XLogP1.80
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2-Propan-2-ylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53618962
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(5-methyl-3-thienyl)carbonyl]piperidine
CID 72889327
[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
CID 118739362
N-[2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl]thiophene-3-carboxamide
CID 91628974
N-{cis-3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}thiophene-3-carboxamide
CID 91762408
N-[[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-3-carboxamide
CID 95216579
N-({1-[(1-isopropyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methyl)thiophene-3-carboxamide
CID 56754200
N-(1-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}pyrrolidin-3-yl)thiophene-3-carboxamide
CID 119104887
N-(1-imidazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 47187559
N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)thiophene-3-carboxamide
CID 49620704
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiophene-3-carboxamide
CID 53538642
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 56779718

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide (CID 91796672) is N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide is Cn1c(Cn2ccnc2)nnc1C1CC(NC(=O)c2ccsc2)C1.
What is the InChIKey of N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
The InChIKey is LCTMRODCELZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-21-14(8-22-4-3-17-10-22)19-20-15(21)12-6-13(7-12)18-16(23)11-2-5-24-9-11/h2-5,9-10,12-13H,6-8H2,1H3,(H,18,23).
What are the key properties of N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 91796672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).