[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea

C13H13N5S2 — CID 3600555

IUPAC[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C13H13N5S2/c14-12(19)17-15-8-10-11(9-4-2-1-3-5-9)16-13-18(10)6-7-20-13/h1-5,8H,6-7H2,(H3,14,17,19)
InChIKeyKUAZLPBGTBKEME-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.82
Rot. Bonds3

About [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea

[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea (PubChem CID 3600555) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
PubChem CID3600555
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1c(-c2ccccc2)nc2n1CCS2
InChIInChI=1S/C13H13N5S2/c14-12(19)17-15-8-10-11(9-4-2-1-3-5-9)16-13-18(10)6-7-20-13/h1-5,8H,6-7H2,(H3,14,17,19)
InChIKeyKUAZLPBGTBKEME-UHFFFAOYSA-N
XLogP1.82
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
The IUPAC name of [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea (CID 3600555) is [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea.
What is the SMILES notation for [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
The canonical SMILES for [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea is NC(=S)NN=Cc1c(-c2ccccc2)nc2n1CCS2.
What is the InChIKey of [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
The InChIKey is KUAZLPBGTBKEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c14-12(19)17-15-8-10-11(9-4-2-1-3-5-9)16-13-18(10)6-7-20-13/h1-5,8H,6-7H2,(H3,14,17,19).
What are the key properties of [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea has a molecular weight of 303.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea is sourced from PubChem (CID 3600555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).