5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione

C10H10N2OS2 — CID 28805707

IUPAC5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)sc2N)cc1
InChIInChI=1S/C10H10N2OS2/c1-13-7-4-2-6(3-5-7)8-9(11)15-10(14)12-8/h2-5H,11H2,1H3,(H,12,14)
InChIKeyRHSHFCOYCXNTOK-UHFFFAOYSA-N
MW238.34 g/mol
LogP3.06
Rot. Bonds2

About 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione

5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione (PubChem CID 28805707) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione
PubChem CID28805707
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)sc2N)cc1
InChIInChI=1S/C10H10N2OS2/c1-13-7-4-2-6(3-5-7)8-9(11)15-10(14)12-8/h2-5H,11H2,1H3,(H,12,14)
InChIKeyRHSHFCOYCXNTOK-UHFFFAOYSA-N
XLogP3.06
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 53.06
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

5-amino-4-(4-bromophenyl)-3H-1,3-thiazole-2-thione
CID 28805751
3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione
CID 96595463
4-amino-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 11572440
6-methoxy-3H-1,3-benzothiazole-2-thione
CID 11401345
2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 4161738
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
4-(2,4-dimethoxyphenyl)-5-ethyl-3H-1,3-thiazole-2-thione
CID 82362824
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
2-(4-methoxyphenyl)-3-methyl-1H-indol-5-ol
CID 142624936
2,5-bis(4-methoxyphenyl)-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrol-3-amine
CID 135912239
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione (CID 28805707) is 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione is COc1ccc(-c2[nH]c(=S)sc2N)cc1.
What is the InChIKey of 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is RHSHFCOYCXNTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-13-7-4-2-6(3-5-7)8-9(11)15-10(14)12-8/h2-5H,11H2,1H3,(H,12,14).
What are the key properties of 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione?
5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 238.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 28805707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).