(1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate

C15H16N3O3S- — CID 7080805

IUPAC(1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCc1csc2nc(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cn12
InChIInChI=1S/C15H17N3O3S/c1-9-8-22-15-17-10(7-18(9)15)6-16-13(19)11-4-2-3-5-12(11)14(20)21/h2-3,7-8,11-12H,4-6H2,1H3,(H,16,19)(H,20,21)/p-1/t11-,12-/m1/s1
InChIKeyJNWQGDIZBYYIHC-VXGBXAGGSA-M
MW318.38 g/mol
LogP0.65
Rot. Bonds4

About (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate

(1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate (PubChem CID 7080805) has the molecular formula C15H16N3O3S- and a molecular weight of 318.38 g/mol. Its IUPAC name is (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name(1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
PubChem CID7080805
Molecular FormulaC15H16N3O3S-
Molecular Weight318.38 g/mol
Exact Mass318.09
IUPAC Name(1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCc1csc2nc(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cn12
InChIInChI=1S/C15H17N3O3S/c1-9-8-22-15-17-10(7-18(9)15)6-16-13(19)11-4-2-3-5-12(11)14(20)21/h2-3,7-8,11-12H,4-6H2,1H3,(H,16,19)(H,20,21)/p-1/t11-,12-/m1/s1
InChIKeyJNWQGDIZBYYIHC-VXGBXAGGSA-M
XLogP0.65
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9S)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125172565
6-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 54913406
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142
4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 23603678
2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethanamine;hydrochloride
CID 53396521
(1S,6S)-6-[(4-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7550139
(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl butanoate
CID 23462412
6-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 4744977
4-(2,4-dioxoimidazolidin-1-yl)-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 72888492
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide
CID 3240597
(1S,6R)-6-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 95357551
3,6-dimethylimidazo[2,1-b][1,3]thiazole
CID 4029317

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate (CID 7080805) is (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate is Cc1csc2nc(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cn12.
What is the InChIKey of (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is JNWQGDIZBYYIHC-VXGBXAGGSA-M. The full InChI is InChI=1S/C15H17N3O3S/c1-9-8-22-15-17-10(7-18(9)15)6-16-13(19)11-4-2-3-5-12(11)14(20)21/h2-3,7-8,11-12H,4-6H2,1H3,(H,16,19)(H,20,21)/p-1/t11-,12-/m1/s1.
What are the key properties of (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate?
(1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7080805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).