4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile

C12H15N3OS — CID 91895189

IUPAC4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
SMILESCc1sc(C(=O)N2CCCCC2)c(N)c1C#N
InChIInChI=1S/C12H15N3OS/c1-8-9(7-13)10(14)11(17-8)12(16)15-5-3-2-4-6-15/h2-6,14H2,1H3
InChIKeyHJZNBJDZNXULKV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.14
Rot. Bonds1

About 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile

4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile (PubChem CID 91895189) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
PubChem CID91895189
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile
SMILESCc1sc(C(=O)N2CCCCC2)c(N)c1C#N
InChIInChI=1S/C12H15N3OS/c1-8-9(7-13)10(14)11(17-8)12(16)15-5-3-2-4-6-15/h2-6,14H2,1H3
InChIKeyHJZNBJDZNXULKV-UHFFFAOYSA-N
XLogP2.14
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile
CID 91895188
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573
ethyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
CID 14579843
3,6-diamino-2-(azepane-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 23744146
(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 107112793
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
CID 1131109
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508485
(3-amino-6-bromo-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 114907675
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
CID 1131597

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile (CID 91895189) is 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile is Cc1sc(C(=O)N2CCCCC2)c(N)c1C#N.
What is the InChIKey of 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
The InChIKey is HJZNBJDZNXULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-9(7-13)10(14)11(17-8)12(16)15-5-3-2-4-6-15/h2-6,14H2,1H3.
What are the key properties of 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile?
4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile has a molecular weight of 249.34 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-(piperidine-1-carbonyl)thiophene-3-carbonitrile is sourced from PubChem (CID 91895189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).