N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide

C16H19N3S — CID 138486245

IUPACN-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide
SMILESCCc1ccnc(CNc2ccccc2NC=S)c1C
InChIInChI=1S/C16H19N3S/c1-3-13-8-9-17-16(12(13)2)10-18-14-6-4-5-7-15(14)19-11-20/h4-9,11,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyGLPRCYHZYHVXBK-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.93
Rot. Bonds6

About N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide

N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide (PubChem CID 138486245) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide
PubChem CID138486245
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide
SMILESCCc1ccnc(CNc2ccccc2NC=S)c1C
InChIInChI=1S/C16H19N3S/c1-3-13-8-9-17-16(12(13)2)10-18-14-6-4-5-7-15(14)19-11-20/h4-9,11,18H,3,10H2,1-2H3,(H,19,20)
InChIKeyGLPRCYHZYHVXBK-UHFFFAOYSA-N
XLogP3.93
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)methanethioamide
CID 21063997
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251
2-[(3-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 63306544
N-(2-ethoxyphenyl)methanethioamide
CID 88853700
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
N-(3-hydroxy-2-methylphenyl)methanethioamide
CID 155298404
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline
CID 143648651
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
3-bromo-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylaniline
CID 107633545
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide?
The IUPAC name of N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide (CID 138486245) is N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide.
What is the SMILES notation for N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide?
The canonical SMILES for N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide is CCc1ccnc(CNc2ccccc2NC=S)c1C.
What is the InChIKey of N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide?
The InChIKey is GLPRCYHZYHVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-13-8-9-17-16(12(13)2)10-18-14-6-4-5-7-15(14)19-11-20/h4-9,11,18H,3,10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide?
N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide has a molecular weight of 285.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-3-methyl-2-pyridinyl)methylamino]phenyl]methanethioamide is sourced from PubChem (CID 138486245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).