2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide

C14H16N4S — CID 43617135

IUPAC2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
SMILESCN(C)c1ccc(Nc2cc(C(N)=S)ccn2)cc1
InChIInChI=1S/C14H16N4S/c1-18(2)12-5-3-11(4-6-12)17-13-9-10(14(15)19)7-8-16-13/h3-9H,1-2H3,(H2,15,19)(H,16,17)
InChIKeyNYZJYTBOSRDROJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide

2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide (PubChem CID 43617135) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
PubChem CID43617135
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
SMILESCN(C)c1ccc(Nc2cc(C(N)=S)ccn2)cc1
InChIInChI=1S/C14H16N4S/c1-18(2)12-5-3-11(4-6-12)17-13-9-10(14(15)19)7-8-16-13/h3-9H,1-2H3,(H2,15,19)(H,16,17)
InChIKeyNYZJYTBOSRDROJ-UHFFFAOYSA-N
XLogP2.53
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-fluoroanilino)pyridine-4-carbothioamide
CID 65437746
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
2-(3-bromo-4-iodoanilino)pyridine-4-carbothioamide
CID 114262123
3-[4-(dimethylamino)anilino]pyrazine-2-carbothioamide
CID 55102849
2-(3-bromoanilino)pyridine-4-carbothioamide
CID 24708483
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carbothioamide
CID 82939380
2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide
CID 61467404

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide (CID 43617135) is 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide is CN(C)c1ccc(Nc2cc(C(N)=S)ccn2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide?
The InChIKey is NYZJYTBOSRDROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-18(2)12-5-3-11(4-6-12)17-13-9-10(14(15)19)7-8-16-13/h3-9H,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide?
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide has a molecular weight of 272.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide is sourced from PubChem (CID 43617135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).