3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one

C12H10N4OS2 — CID 139232812

IUPAC3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C12H10N4OS2/c13-8-3-1-7(2-4-8)9-5-19-12(15-9)16-10(17)6-18-11(16)14/h1-5,14H,6,13H2/b14-11-
InChIKeyCPCMQXXMVCDHMH-KAMYIIQDSA-N
MW290.37 g/mol
LogP2.41
Rot. Bonds2

About 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one

3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one (PubChem CID 139232812) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
PubChem CID139232812
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C12H10N4OS2/c13-8-3-1-7(2-4-8)9-5-19-12(15-9)16-10(17)6-18-11(16)14/h1-5,14H,6,13H2/b14-11-
InChIKeyCPCMQXXMVCDHMH-KAMYIIQDSA-N
XLogP2.41
TPSA83.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one (CID 139232812) is 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nc(-c2ccc(N)cc2)cs1.
What is the InChIKey of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is CPCMQXXMVCDHMH-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H10N4OS2/c13-8-3-1-7(2-4-8)9-5-19-12(15-9)16-10(17)6-18-11(16)14/h1-5,14H,6,13H2/b14-11-.
What are the key properties of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one?
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 139232812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).