[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone

C16H17N3OS2 — CID 95312825

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)sc2ccsc12
InChIInChI=1S/C16H17N3OS2/c1-11-14-13(4-8-21-14)22-15(11)16(20)18-6-2-3-12(9-18)19-7-5-17-10-19/h4-5,7-8,10,12H,2-3,6,9H2,1H3/t12-/m0/s1
InChIKeyNFRAQEAMZQWCFA-LBPRGKRZSA-N
MW331.47 g/mol
LogP3.95
Rot. Bonds2

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone (PubChem CID 95312825) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone
PubChem CID95312825
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)sc2ccsc12
InChIInChI=1S/C16H17N3OS2/c1-11-14-13(4-8-21-14)22-15(11)16(20)18-6-2-3-12(9-18)19-7-5-17-10-19/h4-5,7-8,10,12H,2-3,6,9H2,1H3/t12-/m0/s1
InChIKeyNFRAQEAMZQWCFA-LBPRGKRZSA-N
XLogP3.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312877
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95340985
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 95340385
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051
(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341019
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 95314062
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341522
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95325581

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone (CID 95312825) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone is Cc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)sc2ccsc12.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone?
The InChIKey is NFRAQEAMZQWCFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-11-14-13(4-8-21-14)22-15(11)16(20)18-6-2-3-12(9-18)19-7-5-17-10-19/h4-5,7-8,10,12H,2-3,6,9H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone has a molecular weight of 331.47 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone is sourced from PubChem (CID 95312825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).