2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 55116012

IUPAC2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CCCCCCC2)cs1
InChIInChI=1S/C12H19N3OS/c13-12-15-10(8-17-12)11(16)14-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,13,15)(H,14,16)
InChIKeyVDFBELMGJLWTEG-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.57
Rot. Bonds2

About 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide

2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide (PubChem CID 55116012) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
PubChem CID55116012
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CCCCCCC2)cs1
InChIInChI=1S/C12H19N3OS/c13-12-15-10(8-17-12)11(16)14-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,13,15)(H,14,16)
InChIKeyVDFBELMGJLWTEG-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
CID 107842728
N-cyclooctyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3698377
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 62786842
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 3849663
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
2-amino-N-(2-cyclopentyloxyethyl)-1,3-thiazole-4-carboxamide
CID 63826341
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783
methyl 1-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylate
CID 169419896
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide (CID 55116012) is 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NC2CCCCCCC2)cs1.
What is the InChIKey of 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide?
The InChIKey is VDFBELMGJLWTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-12-15-10(8-17-12)11(16)14-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide?
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55116012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).