(2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione

C10H12N4OS — CID 51674446

IUPAC(2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
SMILESCOc1ccccc1[C@@H]1N=C(N)NC(=S)N1
InChIInChI=1S/C10H12N4OS/c1-15-7-5-3-2-4-6(7)8-12-9(11)14-10(16)13-8/h2-5,8H,1H3,(H4,11,12,13,14,16)/t8-/m1/s1
InChIKeyYYCSIONLNSGRRG-MRVPVSSYSA-N
MW236.30 g/mol
LogP0.49
Rot. Bonds2

About (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione

(2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione (PubChem CID 51674446) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione.

Molecular Properties

Compound Name(2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
PubChem CID51674446
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name(2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
SMILESCOc1ccccc1[C@@H]1N=C(N)NC(=S)N1
InChIInChI=1S/C10H12N4OS/c1-15-7-5-3-2-4-6(7)8-12-9(11)14-10(16)13-8/h2-5,8H,1H3,(H4,11,12,13,14,16)/t8-/m1/s1
InChIKeyYYCSIONLNSGRRG-MRVPVSSYSA-N
XLogP0.49
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
CID 25220334
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1-[(4R)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 761962
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CID 3713375
(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
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(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidine
CID 95366752
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
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[(4S,5R)-4-(2-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone
CID 2451559
(4S)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
CID 7064776
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydropyrido[4,3-d]pyrimidine-2-thione
CID 71658753

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
The IUPAC name of (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione (CID 51674446) is (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione.
What is the SMILES notation for (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
The canonical SMILES for (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione is COc1ccccc1[C@@H]1N=C(N)NC(=S)N1.
What is the InChIKey of (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
The InChIKey is YYCSIONLNSGRRG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-7-5-3-2-4-6(7)8-12-9(11)14-10(16)13-8/h2-5,8H,1H3,(H4,11,12,13,14,16)/t8-/m1/s1.
What are the key properties of (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
(2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione has a molecular weight of 236.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione is sourced from PubChem (CID 51674446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).