(2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone

C17H14N4O2S2 — CID 100579096

IUPAC(2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
SMILESCc1nc(C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)co1
InChIInChI=1S/C17H14N4O2S2/c1-11-19-14(9-23-11)17(22)21-5-6-24-15(21)7-13-10-25-16(20-13)12-3-2-4-18-8-12/h2-4,7-10H,5-6H2,1H3/b15-7+
InChIKeyKPWZCNPUKKKQDS-VIZOYTHASA-N
MW370.46 g/mol
LogP3.69
Rot. Bonds3

About (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone

(2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone (PubChem CID 100579096) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
PubChem CID100579096
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name(2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
SMILESCc1nc(C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)co1
InChIInChI=1S/C17H14N4O2S2/c1-11-19-14(9-23-11)17(22)21-5-6-24-15(21)7-13-10-25-16(20-13)12-3-2-4-18-8-12/h2-4,7-10H,5-6H2,1H3/b15-7+
InChIKeyKPWZCNPUKKKQDS-VIZOYTHASA-N
XLogP3.69
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone (CID 100579096) is (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone is Cc1nc(C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)co1.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is KPWZCNPUKKKQDS-VIZOYTHASA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-11-19-14(9-23-11)17(22)21-5-6-24-15(21)7-13-10-25-16(20-13)12-3-2-4-18-8-12/h2-4,7-10H,5-6H2,1H3/b15-7+.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
(2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 370.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)-[(2E)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 100579096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).