6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C12H16N4OS — CID 876912

IUPAC6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCC(CC)=NNC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C12H16N4OS/c1-4-9(5-2)14-15-11(17)10-8(3)13-12-16(10)6-7-18-12/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyRTGWVSOTJGNLOF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.61
Rot. Bonds4

About 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 876912) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID876912
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCC(CC)=NNC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C12H16N4OS/c1-4-9(5-2)14-15-11(17)10-8(3)13-12-16(10)6-7-18-12/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyRTGWVSOTJGNLOF-UHFFFAOYSA-N
XLogP2.61
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 876912) is 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide is CCC(CC)=NNC(=O)c1c(C)nc2sccn12.
What is the InChIKey of 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is RTGWVSOTJGNLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-9(5-2)14-15-11(17)10-8(3)13-12-16(10)6-7-18-12/h6-7H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 876912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).