6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C11H11N5O2S2 — CID 5480533

IUPAC6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N/N=C1\SCC(=O)N1C
InChIInChI=1S/C11H11N5O2S2/c1-6-8(16-3-4-19-10(16)12-6)9(18)13-14-11-15(2)7(17)5-20-11/h3-4H,5H2,1-2H3,(H,13,18)/b14-11-
InChIKeyHNKRQBARRWSIPV-KAMYIIQDSA-N
MW309.38 g/mol
LogP0.91
Rot. Bonds2

About 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 5480533) has the molecular formula C11H11N5O2S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID5480533
Molecular FormulaC11H11N5O2S2
Molecular Weight309.38 g/mol
Exact Mass309.04
IUPAC Name6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N/N=C1\SCC(=O)N1C
InChIInChI=1S/C11H11N5O2S2/c1-6-8(16-3-4-19-10(16)12-6)9(18)13-14-11-15(2)7(17)5-20-11/h3-4H,5H2,1-2H3,(H,13,18)/b14-11-
InChIKeyHNKRQBARRWSIPV-KAMYIIQDSA-N
XLogP0.91
TPSA79.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Imidazo[2,1-b]thiazole-6-carbohydrazide
CID 14098872
6-Methylimidazo(2,1-b)thiazole-5-carbohydrazide
CID 373104
N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71463243
N-cyclohexyl-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 126471433
N'-(cyclohexanecarbonyl)-6-methyl-imidazo[2,1-b]thiazole-5-carbohydrazide
CID 127038880
N-(cyclopentylideneamino)-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 800828
N-(cyclohexylideneamino)-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 876516
N-(1-ethylpropylideneamino)-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 876912
N-(2-ethyl-4-oxo-2-pentyl-thiazolidin-3-yl)-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 9977086
6-methyl-N-(2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)imidazo[2,1-b]thiazole-5-carboxamide
CID 10405632
N-(8-ethyl-2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 11188115
N-(isopropylideneamino)-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 11195710

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 5480533) is 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)N/N=C1\SCC(=O)N1C.
What is the InChIKey of 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is HNKRQBARRWSIPV-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H11N5O2S2/c1-6-8(16-3-4-19-10(16)12-6)9(18)13-14-11-15(2)7(17)5-20-11/h3-4H,5H2,1-2H3,(H,13,18)/b14-11-.
What are the key properties of 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 5480533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).