5-ethoxy-N-phenylpyridine-2-carbothioamide

C14H14N2OS — CID 146277079

IUPAC5-ethoxy-N-phenylpyridine-2-carbothioamide
SMILESCCOc1ccc(C(=S)Nc2ccccc2)nc1
InChIInChI=1S/C14H14N2OS/c1-2-17-12-8-9-13(15-10-12)14(18)16-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)
InChIKeyJIJKCQIXCJTVTC-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.27
Rot. Bonds4

About 5-ethoxy-N-phenylpyridine-2-carbothioamide

5-ethoxy-N-phenylpyridine-2-carbothioamide (PubChem CID 146277079) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-ethoxy-N-phenylpyridine-2-carbothioamide.

Molecular Properties

Compound Name5-ethoxy-N-phenylpyridine-2-carbothioamide
PubChem CID146277079
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name5-ethoxy-N-phenylpyridine-2-carbothioamide
SMILESCCOc1ccc(C(=S)Nc2ccccc2)nc1
InChIInChI=1S/C14H14N2OS/c1-2-17-12-8-9-13(15-10-12)14(18)16-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)
InChIKeyJIJKCQIXCJTVTC-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
methyl 5-ethoxy-N-phenylpyridine-2-carboximidothioate
CID 146277101
1-(3-ethoxyphenyl)-3-phenylthiourea
CID 3249532
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
5-ethoxy-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 146277110
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
CID 115488829
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
[(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea
CID 46244949
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide
CID 886259

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-phenylpyridine-2-carbothioamide?
The IUPAC name of 5-ethoxy-N-phenylpyridine-2-carbothioamide (CID 146277079) is 5-ethoxy-N-phenylpyridine-2-carbothioamide.
What is the SMILES notation for 5-ethoxy-N-phenylpyridine-2-carbothioamide?
The canonical SMILES for 5-ethoxy-N-phenylpyridine-2-carbothioamide is CCOc1ccc(C(=S)Nc2ccccc2)nc1.
What is the InChIKey of 5-ethoxy-N-phenylpyridine-2-carbothioamide?
The InChIKey is JIJKCQIXCJTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-17-12-8-9-13(15-10-12)14(18)16-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18).
What are the key properties of 5-ethoxy-N-phenylpyridine-2-carbothioamide?
5-ethoxy-N-phenylpyridine-2-carbothioamide has a molecular weight of 258.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-phenylpyridine-2-carbothioamide is sourced from PubChem (CID 146277079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).