(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C12H15N5OS — CID 75435150

IUPAC(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cscc1C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C12H15N5OS/c1-8-6-19-7-10(8)12(18)17-4-2-3-9(5-17)11-13-15-16-14-11/h6-7,9H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyAJEYFQKVEDXGDE-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.59
Rot. Bonds2

About (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 75435150) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID75435150
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cscc1C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C12H15N5OS/c1-8-6-19-7-10(8)12(18)17-4-2-3-9(5-17)11-13-15-16-14-11/h6-7,9H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyAJEYFQKVEDXGDE-UHFFFAOYSA-N
XLogP1.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813539
1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488651
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 154843219
2-[2-ethoxy-4-[(3S)-3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 97239155
2-[2-ethoxy-4-[3-(2H-tetrazol-5-yl)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 75387010
ethyl 1-[(3S)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97150054
[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154801117
(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086390
[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 154847972
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086387

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 75435150) is (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is Cc1cscc1C(=O)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AJEYFQKVEDXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-6-19-7-10(8)12(18)17-4-2-3-9(5-17)11-13-15-16-14-11/h6-7,9H,2-5H2,1H3,(H,13,14,15,16).
What are the key properties of (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 277.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 75435150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).