N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C17H20N4OS — CID 129449448

IUPACN-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC1(C)[C@H]2CC=C(C=NNC(=O)Cc3cn4ccsc4n3)[C@H]1C2
InChIInChI=1S/C17H20N4OS/c1-17(2)12-4-3-11(14(17)7-12)9-18-20-15(22)8-13-10-21-5-6-23-16(21)19-13/h3,5-6,9-10,12,14H,4,7-8H2,1-2H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyFDVMBSPLULNHSQ-GXTWGEPZSA-N
MW328.44 g/mol
LogP3.03
Rot. Bonds4

About N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 129449448) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID129449448
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC1(C)[C@H]2CC=C(C=NNC(=O)Cc3cn4ccsc4n3)[C@H]1C2
InChIInChI=1S/C17H20N4OS/c1-17(2)12-4-3-11(14(17)7-12)9-18-20-15(22)8-13-10-21-5-6-23-16(21)19-13/h3,5-6,9-10,12,14H,4,7-8H2,1-2H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyFDVMBSPLULNHSQ-GXTWGEPZSA-N
XLogP3.03
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.03
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

N-(2-ethylbutylideneamino)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 3445626
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 6031444
N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
CID 98390251
2-(benzimidazol-1-yl)-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]acetamide
CID 129449162
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 5143876
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6219676
1-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 43169456
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6005008
N-[2-(tert-butylamino)-2-oxoethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31563729
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
N-(1-hydroxy-2-methylbutan-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 64555428
2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylbutanoic acid
CID 79793246

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 129449448) is N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CC1(C)[C@H]2CC=C(C=NNC(=O)Cc3cn4ccsc4n3)[C@H]1C2.
What is the InChIKey of N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is FDVMBSPLULNHSQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-17(2)12-4-3-11(14(17)7-12)9-18-20-15(22)8-13-10-21-5-6-23-16(21)19-13/h3,5-6,9-10,12,14H,4,7-8H2,1-2H3,(H,20,22)/t12-,14+/m0/s1.
What are the key properties of N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 129449448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).