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

C18H16N4OS2 — CID 1285301

IUPAC4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1
InChIInChI=1S/C18H16N4OS2/c1-21-14-6-4-3-5-13(14)20-17(21)15-16(19)22(18(24)25-15)11-7-9-12(23-2)10-8-11/h3-10H,19H2,1-2H3
InChIKeyOCSRSXROLQRGLW-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.41
Rot. Bonds3

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

4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione (PubChem CID 1285301) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione
PubChem CID1285301
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1
InChIInChI=1S/C18H16N4OS2/c1-21-14-6-4-3-5-13(14)20-17(21)15-16(19)22(18(24)25-15)11-7-9-12(23-2)10-8-11/h3-10H,19H2,1-2H3
InChIKeyOCSRSXROLQRGLW-UHFFFAOYSA-N
XLogP4.41
TPSA58.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione?
The IUPAC name of 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione (CID 1285301) is 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione.
What is the SMILES notation for 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione?
The canonical SMILES for 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione is COc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1.
What is the InChIKey of 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione?
The InChIKey is OCSRSXROLQRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-21-14-6-4-3-5-13(14)20-17(21)15-16(19)22(18(24)25-15)11-7-9-12(23-2)10-8-11/h3-10H,19H2,1-2H3.
What are the key properties of 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione?
4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione has a molecular weight of 368.49 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methoxyphenyl)-5-(1-methylbenzimidazol-2-yl)-1,3-thiazole-2-thione is sourced from PubChem (CID 1285301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).