(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C14H19N5OS — CID 61108625

IUPAC(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1sc(C(=O)N2CCCC(c3nncn3C)C2)cc1N
InChIInChI=1S/C14H19N5OS/c1-9-11(15)6-12(21-9)14(20)19-5-3-4-10(7-19)13-17-16-8-18(13)2/h6,8,10H,3-5,7,15H2,1-2H3
InChIKeyLFMQKUDJTFOIKU-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.79
Rot. Bonds2

About (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 61108625) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID61108625
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1sc(C(=O)N2CCCC(c3nncn3C)C2)cc1N
InChIInChI=1S/C14H19N5OS/c1-9-11(15)6-12(21-9)14(20)19-5-3-4-10(7-19)13-17-16-8-18(13)2/h6,8,10H,3-5,7,15H2,1-2H3
InChIKeyLFMQKUDJTFOIKU-UHFFFAOYSA-N
XLogP1.79
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
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(4-amino-5-methylthiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 63624400
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
CID 61109998
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-5-methylthiophen-2-yl)methanone
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(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456
(2,3-dimethyl-1H-indol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 42958743
(1-aminocyclohexyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 60964072
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 136544708
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
2-(1-adamantyl)-1-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 61108625) is (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cc1sc(C(=O)N2CCCC(c3nncn3C)C2)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LFMQKUDJTFOIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9-11(15)6-12(21-9)14(20)19-5-3-4-10(7-19)13-17-16-8-18(13)2/h6,8,10H,3-5,7,15H2,1-2H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 305.41 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 61108625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).