N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C13H16N4OS — CID 876516

IUPACN-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN=C1CCCCC1
InChIInChI=1S/C13H16N4OS/c1-9-11(17-7-8-19-13(17)14-9)12(18)16-15-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,16,18)
InChIKeyIUDCEPHPBSPKRW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.75
Rot. Bonds2

About N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 876516) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID876516
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN=C1CCCCC1
InChIInChI=1S/C13H16N4OS/c1-9-11(17-7-8-19-13(17)14-9)12(18)16-15-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,16,18)
InChIKeyIUDCEPHPBSPKRW-UHFFFAOYSA-N
XLogP2.75
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.75
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 N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 876516) is N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IUDCEPHPBSPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-11(17-7-8-19-13(17)14-9)12(18)16-15-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,16,18).
What are the key properties of N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 876516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).