5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C17H22N4O2S — CID 96511671

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1
InChIInChI=1S/C17H22N4O2S/c1-10(2)15-18-16(20-19-15)12-9-21(6-7-23-12)17(22)14-8-11-4-3-5-13(11)24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyUUKBCFNUBGNTRJ-LBPRGKRZSA-N
MW346.46 g/mol
LogP2.69
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 96511671) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID96511671
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1
InChIInChI=1S/C17H22N4O2S/c1-10(2)15-18-16(20-19-15)12-9-21(6-7-23-12)17(22)14-8-11-4-3-5-13(11)24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyUUKBCFNUBGNTRJ-LBPRGKRZSA-N
XLogP2.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
1,3-dihydro-2-benzofuran-5-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71872812
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148
[2-(dimethylamino)-4-pyridinyl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511701
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511796
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511678
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697
1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]cyclobutane-1-carbonitrile
CID 97018917
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96511705
[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 97133718
(3S)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511729

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 96511671) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is UUKBCFNUBGNTRJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10(2)15-18-16(20-19-15)12-9-21(6-7-23-12)17(22)14-8-11-4-3-5-13(11)24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 96511671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).