2-(4-propoxyanilino)pyridine-3-carbothioamide

C15H17N3OS — CID 62327992

IUPAC2-(4-propoxyanilino)pyridine-3-carbothioamide
SMILESCCCOc1ccc(Nc2ncccc2C(N)=S)cc1
InChIInChI=1S/C15H17N3OS/c1-2-10-19-12-7-5-11(6-8-12)18-15-13(14(16)20)4-3-9-17-15/h3-9H,2,10H2,1H3,(H2,16,20)(H,17,18)
InChIKeyMIHSDXWTUUQQQN-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-propoxyanilino)pyridine-3-carbothioamide

2-(4-propoxyanilino)pyridine-3-carbothioamide (PubChem CID 62327992) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(4-propoxyanilino)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4-propoxyanilino)pyridine-3-carbothioamide
PubChem CID62327992
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(4-propoxyanilino)pyridine-3-carbothioamide
SMILESCCCOc1ccc(Nc2ncccc2C(N)=S)cc1
InChIInChI=1S/C15H17N3OS/c1-2-10-19-12-7-5-11(6-8-12)18-15-13(14(16)20)4-3-9-17-15/h3-9H,2,10H2,1H3,(H2,16,20)(H,17,18)
InChIKeyMIHSDXWTUUQQQN-UHFFFAOYSA-N
XLogP3.25
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.25
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

2-[4-(trifluoromethoxy)anilino]pyridine-3-carbothioamide
CID 28514655
2-(4-butoxyanilino)pyridine-3-carboxylate
CID 7130496
4-(4-propoxyanilino)benzenecarbothioamide
CID 62327993
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
5-bromo-2-(4-propoxyanilino)benzenecarbothioamide
CID 114891694
2-(3-iodo-4-methylanilino)pyridine-3-carbothioamide
CID 114257497
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
2-(2,2-dimethylbutylamino)pyridine-3-carbothioamide
CID 103461840
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
CID 82816909
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 55308156
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyanilino)pyridine-3-carbothioamide?
The IUPAC name of 2-(4-propoxyanilino)pyridine-3-carbothioamide (CID 62327992) is 2-(4-propoxyanilino)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(4-propoxyanilino)pyridine-3-carbothioamide?
The canonical SMILES for 2-(4-propoxyanilino)pyridine-3-carbothioamide is CCCOc1ccc(Nc2ncccc2C(N)=S)cc1.
What is the InChIKey of 2-(4-propoxyanilino)pyridine-3-carbothioamide?
The InChIKey is MIHSDXWTUUQQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-10-19-12-7-5-11(6-8-12)18-15-13(14(16)20)4-3-9-17-15/h3-9H,2,10H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(4-propoxyanilino)pyridine-3-carbothioamide?
2-(4-propoxyanilino)pyridine-3-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyanilino)pyridine-3-carbothioamide is sourced from PubChem (CID 62327992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).