6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C17H18N4OS — CID 694638

IUPAC6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)14-6-4-13(5-7-14)10-18-20-16(22)15-12(3)19-17-21(15)8-9-23-17/h4-11H,1-3H3,(H,20,22)
InChIKeyKQKYHTIVSCNSFG-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.59
Rot. Bonds4

About 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 694638) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID694638
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)14-6-4-13(5-7-14)10-18-20-16(22)15-12(3)19-17-21(15)8-9-23-17/h4-11H,1-3H3,(H,20,22)
InChIKeyKQKYHTIVSCNSFG-UHFFFAOYSA-N
XLogP3.59
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.59
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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Related Compounds

6-methyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 127041977
methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126002970
2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
CID 5111295
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135606342
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 1227652
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide
CID 5411539
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
methyl (2S)-2-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]propanoate
CID 101023044
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009877
4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 75137265

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 694638) is 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NN=Cc1ccc(C(C)C)cc1.
What is the InChIKey of 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is KQKYHTIVSCNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(2)14-6-4-13(5-7-14)10-18-20-16(22)15-12(3)19-17-21(15)8-9-23-17/h4-11H,1-3H3,(H,20,22).
What are the key properties of 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 694638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).