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

C11H14N4OS — CID 11425224

IUPACN-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCC/C(C)=N\NC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C11H14N4OS/c1-4-7(2)13-14-10(16)9-8(3)12-11-15(9)5-6-17-11/h5-6H,4H2,1-3H3,(H,14,16)/b13-7-
InChIKeyABLQCCCXXLCSDG-QPEQYQDCSA-N
MW250.33 g/mol
LogP2.22
Rot. Bonds3

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

N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 11425224) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID11425224
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCC/C(C)=N\NC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C11H14N4OS/c1-4-7(2)13-14-10(16)9-8(3)12-11-15(9)5-6-17-11/h5-6H,4H2,1-3H3,(H,14,16)/b13-7-
InChIKeyABLQCCCXXLCSDG-QPEQYQDCSA-N
XLogP2.22
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.22
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-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 11425224) is N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is CC/C(C)=N\NC(=O)c1c(C)nc2sccn12.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is ABLQCCCXXLCSDG-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-4-7(2)13-14-10(16)9-8(3)12-11-15(9)5-6-17-11/h5-6H,4H2,1-3H3,(H,14,16)/b13-7-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butan-2-ylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 11425224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).