6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide

C13H15N3OS — CID 54958448

IUPAC6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1ccc(C(C)Nc2ccc(C(N)=S)cn2)o1
InChIInChI=1S/C13H15N3OS/c1-8-3-5-11(17-8)9(2)16-12-6-4-10(7-15-12)13(14)18/h3-7,9H,1-2H3,(H2,14,18)(H,15,16)
InChIKeyBJXAJLPNFCXLEY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.79
Rot. Bonds4

About 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide

6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 54958448) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID54958448
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1ccc(C(C)Nc2ccc(C(N)=S)cn2)o1
InChIInChI=1S/C13H15N3OS/c1-8-3-5-11(17-8)9(2)16-12-6-4-10(7-15-12)13(14)18/h3-7,9H,1-2H3,(H2,14,18)(H,15,16)
InChIKeyBJXAJLPNFCXLEY-UHFFFAOYSA-N
XLogP2.79
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(1-pyridin-4-ylethylamino)pyridine-3-carbothioamide
CID 43524173
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 113387312
2,3-difluoro-4-[1-(5-methylfuran-2-yl)ethylamino]benzenecarbothioamide
CID 107934691
6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide
CID 24706067
4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenecarbothioamide
CID 62301253
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278
6-(dicyclopropylmethylamino)pyridine-3-carbothioamide
CID 54958533
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244
1-amino-3-[1-(5-methylfuran-2-yl)ethyl]thiourea
CID 61480392
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide (CID 54958448) is 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide is Cc1ccc(C(C)Nc2ccc(C(N)=S)cn2)o1.
What is the InChIKey of 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is BJXAJLPNFCXLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-3-5-11(17-8)9(2)16-12-6-4-10(7-15-12)13(14)18/h3-7,9H,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide?
6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 261.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylfuran-2-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 54958448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).